1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide

C28H38N2O3 — CID 125060336

IUPAC1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1
InChIInChI=1S/C28H38N2O3/c1-22-7-5-18-30(21-22)19-6-20-33-26-14-10-24(11-15-26)29-27(31)28(16-3-4-17-28)23-8-12-25(32-2)13-9-23/h8-15,22H,3-7,16-21H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyFUCOCXPZBFRFDO-QFIPXVFZSA-N
MW450.62 g/mol
LogP5.65
Rot. Bonds9

About 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 125060336) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID125060336
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1
InChIInChI=1S/C28H38N2O3/c1-22-7-5-18-30(21-22)19-6-20-33-26-14-10-24(11-15-26)29-27(31)28(16-3-4-17-28)23-8-12-25(32-2)13-9-23/h8-15,22H,3-7,16-21H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyFUCOCXPZBFRFDO-QFIPXVFZSA-N
XLogP5.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide
CID 125061190
1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100678357
1-(4-methylphenyl)-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133179633
N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669431
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133188335
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668537
1-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100692055
1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133187938
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
4-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 133246433

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide (CID 125060336) is 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is FUCOCXPZBFRFDO-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-22-7-5-18-30(21-22)19-6-20-33-26-14-10-24(11-15-26)29-27(31)28(16-3-4-17-28)23-8-12-25(32-2)13-9-23/h8-15,22H,3-7,16-21H2,1-2H3,(H,29,31)/t22-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide?
1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 450.62 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 125060336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).