1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide

C24H30N2O3 — CID 55931737

IUPAC1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccccc2OCCc2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c1-2-9-23(27)26-16-8-12-20(18-26)24(28)25-21-13-6-7-14-22(21)29-17-15-19-10-4-3-5-11-19/h3-7,10-11,13-14,20H,2,8-9,12,15-18H2,1H3,(H,25,28)
InChIKeyNXPRCMFLVVVFKA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.29
Rot. Bonds8

About 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide

1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 55931737) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
PubChem CID55931737
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccccc2OCCc2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c1-2-9-23(27)26-16-8-12-20(18-26)24(28)25-21-13-6-7-14-22(21)29-17-15-19-10-4-3-5-11-19/h3-7,10-11,13-14,20H,2,8-9,12,15-18H2,1H3,(H,25,28)
InChIKeyNXPRCMFLVVVFKA-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
CID 49401442
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide (CID 55931737) is 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2ccccc2OCCc2ccccc2)C1.
What is the InChIKey of 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is NXPRCMFLVVVFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-9-23(27)26-16-8-12-20(18-26)24(28)25-21-13-6-7-14-22(21)29-17-15-19-10-4-3-5-11-19/h3-7,10-11,13-14,20H,2,8-9,12,15-18H2,1H3,(H,25,28).
What are the key properties of 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide?
1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55931737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).