N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine

C134H185N11O18 — CID 157287903

About N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine

N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine (PubChem CID 157287903) has the molecular formula C134H185N11O18 and a molecular weight of 2238.01 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine
• PubChem CID: 157287903
• Molecular Formula: C134H185N11O18
• Molecular Weight: 2238.01 g/mol
• Exact Mass: 2236.39
• IUPAC Name: N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine
• SMILES: COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCNC4CCCCC4)cc3)cc21.COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCNCC4CCCCC4)cc3)cc21.COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCNCCc4ccccc4OC)cc3)cc21.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2NC(=O)C3(C)C)cc1
• InChI: InChI=1S/C35H47N3O5.2C33H49N3O4.C33H40N2O5/c1-39-21-5-19-38-20-23-42-34-13-8-27(24-32(34)38)26-43-35-25-37-17-15-31(35)28-9-11-30(12-10-28)41-22-18-36-16-14-29-6-3-4-7-33(29)40-2;1-37-20-6-18-36-19-22-39-32-14-9-26(23-31(32)36)25-40-33-24-34-17-15-30(33)27-10-12-29(13-11-27)38-21-5-16-35-28-7-3-2-4-8-28;1-37-19-5-17-36-18-21-39-32-13-8-27(22-31(32)36)25-40-33-24-34-15-14-30(33)28-9-11-29(12-10-28)38-20-16-35-23-26-6-3-2-4-7-26;1-33(2)28-10-6-9-25(31(28)35-32(33)36)22-40-30-20-34-17-16-27(30)23-12-14-26(15-13-23)39-19-7-18-38-21-24-8-4-5-11-29(24)37-3/h3-4,6-13,24,31,35-37H,5,14-23,25-26H2,1-2H3;9-14,23,28,30,33-35H,2-8,15-22,24-25H2,1H3;8-13,22,26,30,33-35H,2-7,14-21,23-25H2,1H3;4-6,8-15,27,30,34H,7,16-22H2,1-3H3,(H,35,36)/t31-,35+;2*30-,33+;27-,30+/m1111/s1
• InChIKey: BALKMDDMIAZFEB-RNGKKQFVSA-N
• XLogP: 20.79
• TPSA: 279.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 56
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.01
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine?

The IUPAC name of N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine (CID 157287903) is N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine.

What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine?

The canonical SMILES for N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine is COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCNC4CCCCC4)cc3)cc21.COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCNCC4CCCCC4)cc3)cc21.COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCNCCc4ccccc4OC)cc3)cc21.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2NC(=O)C3(C)C)cc1.

What is the InChIKey of N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine?

The InChIKey is BALKMDDMIAZFEB-RNGKKQFVSA-N. The full InChI is InChI=1S/C35H47N3O5.2C33H49N3O4.C33H40N2O5/c1-39-21-5-19-38-20-23-42-34-13-8-27(24-32(34)38)26-43-35-25-37-17-15-31(35)28-9-11-30(12-10-28)41-22-18-36-16-14-29-6-3-4-7-33(29)40-2;1-37-20-6-18-36-19-22-39-32-14-9-26(23-31(32)36)25-40-33-24-34-17-15-30(33)27-10-12-29(13-11-27)38-21-5-16-35-28-7-3-2-4-8-28;1-37-19-5-17-36-18-21-39-32-13-8-27(22-31(32)36)25-40-33-24-34-15-14-30(33)28-9-11-29(12-10-28)38-20-16-35-23-26-6-3-2-4-7-26;1-33(2)28-10-6-9-25(31(28)35-32(33)36)22-40-30-20-34-17-16-27(30)23-12-14-26(15-13-23)39-19-7-18-38-21-24-8-4-5-11-29(24)37-3/h3-4,6-13,24,31,35-37H,5,14-23,25-26H2,1-2H3;9-14,23,28,30,33-35H,2-8,15-22,24-25H2,1H3;8-13,22,26,30,33-35H,2-7,14-21,23-25H2,1H3;4-6,8-15,27,30,34H,7,16-22H2,1-3H3,(H,35,36)/t31-,35+;2*30-,33+;27-,30+/m1111/s1.

What are the key properties of N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine?

N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine has a molecular weight of 2238.01 g/mol, XLogP of 20.79, 56 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethanamine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1H-indol-2-one;2-(2-methoxyphenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;N-[3-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]propyl]cyclohexanamine is sourced from PubChem (CID 157287903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).