1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide

C29H38N2O2 — CID 23600335

IUPAC1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(CCC1CCCC1)N1CCC(C(=O)NCCCc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C29H38N2O2/c32-27(18-17-25-12-7-8-13-25)31-22-19-29(20-23-31,26-15-5-2-6-16-26)28(33)30-21-9-14-24-10-3-1-4-11-24/h1-6,10-11,15-16,25H,7-9,12-14,17-23H2,(H,30,33)
InChIKeyNHYYNGFMLLXZAD-UHFFFAOYSA-N
MW446.64 g/mol
LogP5.27
Rot. Bonds9

About 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide

1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 23600335) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID23600335
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(CCC1CCCC1)N1CCC(C(=O)NCCCc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C29H38N2O2/c32-27(18-17-25-12-7-8-13-25)31-22-19-29(20-23-31,26-15-5-2-6-16-26)28(33)30-21-9-14-24-10-3-1-4-11-24/h1-6,10-11,15-16,25H,7-9,12-14,17-23H2,(H,30,33)
InChIKeyNHYYNGFMLLXZAD-UHFFFAOYSA-N
XLogP5.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 89031878
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
N-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]adamantane-1-carboxamide
CID 37033363
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 60602172
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 23600335) is 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide is O=C(CCC1CCCC1)N1CCC(C(=O)NCCCc2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is NHYYNGFMLLXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c32-27(18-17-25-12-7-8-13-25)31-22-19-29(20-23-31,26-15-5-2-6-16-26)28(33)30-21-9-14-24-10-3-1-4-11-24/h1-6,10-11,15-16,25H,7-9,12-14,17-23H2,(H,30,33).
What are the key properties of 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 23600335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).