N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide

C27H36N2O3 — CID 110194127

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(CCCc3ccccc3)CC2)cc1OC1CCCC1
InChIInChI=1S/C27H36N2O3/c1-31-25-14-13-23(20-26(25)32-24-11-5-6-12-24)28-27(30)22-15-18-29(19-16-22)17-7-10-21-8-3-2-4-9-21/h2-4,8-9,13-14,20,22,24H,5-7,10-12,15-19H2,1H3,(H,28,30)
InChIKeySATQXOLQUNJSQL-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.30
Rot. Bonds9

About N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 110194127) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID110194127
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(CCCc3ccccc3)CC2)cc1OC1CCCC1
InChIInChI=1S/C27H36N2O3/c1-31-25-14-13-23(20-26(25)32-24-11-5-6-12-24)28-27(30)22-15-18-29(19-16-22)17-7-10-21-8-3-2-4-9-21/h2-4,8-9,13-14,20,22,24H,5-7,10-12,15-19H2,1H3,(H,28,30)
InChIKeySATQXOLQUNJSQL-UHFFFAOYSA-N
XLogP5.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46402015
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-(benzenesulfonyl)-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 55584183
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide (CID 110194127) is N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(CCCc3ccccc3)CC2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is SATQXOLQUNJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-31-25-14-13-23(20-26(25)32-24-11-5-6-12-24)28-27(30)22-15-18-29(19-16-22)17-7-10-21-8-3-2-4-9-21/h2-4,8-9,13-14,20,22,24H,5-7,10-12,15-19H2,1H3,(H,28,30).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 110194127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).