1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide

C17H24N2O3 — CID 110675703

IUPAC1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(C)CC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H24N2O3/c1-12(14-4-3-5-15(11-14)22-2)10-16(20)19-8-6-13(7-9-19)17(18)21/h3-5,11-13H,6-10H2,1-2H3,(H2,18,21)
InChIKeyCVDGALBIANOWMP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.91
Rot. Bonds5

About 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide

1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide (PubChem CID 110675703) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
PubChem CID110675703
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(C)CC(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H24N2O3/c1-12(14-4-3-5-15(11-14)22-2)10-16(20)19-8-6-13(7-9-19)17(18)21/h3-5,11-13H,6-10H2,1-2H3,(H2,18,21)
InChIKeyCVDGALBIANOWMP-UHFFFAOYSA-N
XLogP1.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxylate
CID 110675706
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one
CID 119595798
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
(3S,4S)-1-[3-(3-methoxyphenyl)butanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952834
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
(3S)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124688292
1-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]piperidine-4-carboxamide
CID 39717828

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide (CID 110675703) is 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide is COc1cccc(C(C)CC(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide?
The InChIKey is CVDGALBIANOWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(14-4-3-5-15(11-14)22-2)10-16(20)19-8-6-13(7-9-19)17(18)21/h3-5,11-13H,6-10H2,1-2H3,(H2,18,21).
What are the key properties of 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide?
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 110675703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).