1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one

C106H163N11O11 — CID 158079310

About 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one

1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one (PubChem CID 158079310) has the molecular formula C106H163N11O11 and a molecular weight of 1767.54 g/mol. Its IUPAC name is 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
• PubChem CID: 158079310
• Molecular Formula: C106H163N11O11
• Molecular Weight: 1767.54 g/mol
• Exact Mass: 1766.25
• IUPAC Name: 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one
• SMILES: CC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCCCC1.CC(C)N1CCN(CCCOc2ccc(C(=O)CN3CCCCC3)cc2)CC1.C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(C(=O)CN2CCCCC2)cc1.C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCCC2)cc1.O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1
• InChI: InChI=1S/C23H37N3O2.C22H34N2O2.2C21H32N2O2.C19H28N2O3/c1-20(2)26-16-14-24(15-17-26)13-6-18-28-22-9-7-21(8-10-22)23(27)19-25-11-4-3-5-12-25;1-18-7-8-19(2)24(18)15-6-16-26-21-11-9-20(10-12-21)22(25)17-23-13-4-3-5-14-23;1-18-7-5-14-23(18)15-6-16-25-20-10-8-19(9-11-20)21(24)17-22-12-3-2-4-13-22;1-18(23-15-3-2-4-16-23)21(24)19-8-10-20(11-9-19)25-17-7-14-22-12-5-6-13-22;22-19(16-21-11-14-23-15-12-21)17-4-6-18(7-5-17)24-13-3-10-20-8-1-2-9-20/h7-10,20H,3-6,11-19H2,1-2H3;9-12,18-19H,3-8,13-17H2,1-2H3;2*8-11,18H,2-7,12-17H2,1H3;4-7H,1-3,8-16H2/t;18-,19-;18-;;/m.10../s1
• InChIKey: FMTFRBUYQSZPGG-FDIQPAAWSA-N
• XLogP: 16.43
• TPSA: 176.37 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 41
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1767.54
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?

The IUPAC name of 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one (CID 158079310) is 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one.

What is the SMILES notation for 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?

The canonical SMILES for 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one is CC(C(=O)c1ccc(OCCCN2CCCC2)cc1)N1CCCCC1.CC(C)N1CCN(CCCOc2ccc(C(=O)CN3CCCCC3)cc2)CC1.C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(C(=O)CN2CCCCC2)cc1.C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCCCC2)cc1.O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1.

What is the InChIKey of 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?

The InChIKey is FMTFRBUYQSZPGG-FDIQPAAWSA-N. The full InChI is InChI=1S/C23H37N3O2.C22H34N2O2.2C21H32N2O2.C19H28N2O3/c1-20(2)26-16-14-24(15-17-26)13-6-18-28-22-9-7-21(8-10-22)23(27)19-25-11-4-3-5-12-25;1-18-7-8-19(2)24(18)15-6-16-26-21-11-9-20(10-12-21)22(25)17-23-13-4-3-5-14-23;1-18-7-5-14-23(18)15-6-16-25-20-10-8-19(9-11-20)21(24)17-22-12-3-2-4-13-22;1-18(23-15-3-2-4-16-23)21(24)19-8-10-20(11-9-19)25-17-7-14-22-12-5-6-13-22;22-19(16-21-11-14-23-15-12-21)17-4-6-18(7-5-17)24-13-3-10-20-8-1-2-9-20/h7-10,20H,3-6,11-19H2,1-2H3;9-12,18-19H,3-8,13-17H2,1-2H3;2*8-11,18H,2-7,12-17H2,1H3;4-7H,1-3,8-16H2/t;18-,19-;18-;;/m.10../s1.

What are the key properties of 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one?

1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one has a molecular weight of 1767.54 g/mol, XLogP of 16.43, 41 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylethanone;2-morpholin-4-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone;2-piperidin-1-yl-1-[4-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone;2-piperidin-1-yl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one is sourced from PubChem (CID 158079310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).