1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide

C24H30N2O3 — CID 55854450

IUPAC1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c27-23(15-19-29-22-11-5-2-6-12-22)26-17-13-21(14-18-26)24(28)25-16-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,21H,7,10,13-19H2,(H,25,28)
InChIKeyFHRQCFGUTLAQEP-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.44
Rot. Bonds9

About 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide

1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 55854450) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID55854450
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c27-23(15-19-29-22-11-5-2-6-12-22)26-17-13-21(14-18-26)24(28)25-16-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,21H,7,10,13-19H2,(H,25,28)
InChIKeyFHRQCFGUTLAQEP-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856671
(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42272774
N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410497

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 55854450) is 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is FHRQCFGUTLAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-23(15-19-29-22-11-5-2-6-12-22)26-17-13-21(14-18-26)24(28)25-16-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,21H,7,10,13-19H2,(H,25,28).
What are the key properties of 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55854450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).