N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide

C33H43Cl2N3O3 — CID 44528699

IUPACN-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1
InChIInChI=1S/C33H43Cl2N3O3/c1-2-31(39)38(27-11-7-4-8-12-27)28-15-18-36(19-16-28)20-17-33(26-13-14-29(34)30(35)23-26)24-37(21-22-41-33)32(40)25-9-5-3-6-10-25/h4,7-8,11-14,23,25,28H,2-3,5-6,9-10,15-22,24H2,1H3
InChIKeyDWBLHACNFWYUBD-UHFFFAOYSA-N
MW600.63 g/mol
LogP6.93
Rot. Bonds8

About N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 44528699) has the molecular formula C33H43Cl2N3O3 and a molecular weight of 600.63 g/mol. Its IUPAC name is N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID44528699
Molecular FormulaC33H43Cl2N3O3
Molecular Weight600.63 g/mol
Exact Mass599.27
IUPAC NameN-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1
InChIInChI=1S/C33H43Cl2N3O3/c1-2-31(39)38(27-11-7-4-8-12-27)28-15-18-36(19-16-28)20-17-33(26-13-14-29(34)30(35)23-26)24-37(21-22-41-33)32(40)25-9-5-3-6-10-25/h4,7-8,11-14,23,25,28H,2-3,5-6,9-10,15-22,24H2,1H3
InChIKeyDWBLHACNFWYUBD-UHFFFAOYSA-N
XLogP6.93
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.63
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 44528699) is N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1.
What is the InChIKey of N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is DWBLHACNFWYUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43Cl2N3O3/c1-2-31(39)38(27-11-7-4-8-12-27)28-15-18-36(19-16-28)20-17-33(26-13-14-29(34)30(35)23-26)24-37(21-22-41-33)32(40)25-9-5-3-6-10-25/h4,7-8,11-14,23,25,28H,2-3,5-6,9-10,15-22,24H2,1H3.
What are the key properties of N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 600.63 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 44528699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).