1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide

C16H22N2O3 — CID 895276

IUPAC1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22N2O3/c1-2-14(21-13-6-4-3-5-7-13)16(20)18-10-8-12(9-11-18)15(17)19/h3-7,12,14H,2,8-11H2,1H3,(H2,17,19)/t14-/m0/s1
InChIKeyBGOPNLHTFYFKKN-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.57
Rot. Bonds5

About 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide

1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide (PubChem CID 895276) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
PubChem CID895276
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22N2O3/c1-2-14(21-13-6-4-3-5-7-13)16(20)18-10-8-12(9-11-18)15(17)19/h3-7,12,14H,2,8-11H2,1H3,(H2,17,19)/t14-/m0/s1
InChIKeyBGOPNLHTFYFKKN-AWEZNQCLSA-N
XLogP1.57
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-phenoxybutan-1-one
CID 79410096
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
CID 92682966
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
methyl 1-[2-(3-methoxyphenoxy)butanoyl]piperidine-4-carboxylate
CID 46763822
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 28567351
1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 43092200
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide (CID 895276) is 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide is CC[C@H](Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide?
The InChIKey is BGOPNLHTFYFKKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-14(21-13-6-4-3-5-7-13)16(20)18-10-8-12(9-11-18)15(17)19/h3-7,12,14H,2,8-11H2,1H3,(H2,17,19)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide?
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 895276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).