1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

C19H28N2O3 — CID 113004717

IUPAC1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCc2cccc(OC)c2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-5-18(22)21-12-9-16(10-13-21)19(23)20-11-8-15-6-4-7-17(14-15)24-2/h4,6-7,14,16H,3,5,8-13H2,1-2H3,(H,20,23)
InChIKeyJLCSSBRCWLVZKI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.39
Rot. Bonds7

About 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 113004717) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID113004717
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCCc2cccc(OC)c2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-5-18(22)21-12-9-16(10-13-21)19(23)20-11-8-15-6-4-7-17(14-15)24-2/h4,6-7,14,16H,3,5,8-13H2,1-2H3,(H,20,23)
InChIKeyJLCSSBRCWLVZKI-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 113004717) is 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCCc2cccc(OC)c2)CC1.
What is the InChIKey of 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is JLCSSBRCWLVZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-5-18(22)21-12-9-16(10-13-21)19(23)20-11-8-15-6-4-7-17(14-15)24-2/h4,6-7,14,16H,3,5,8-13H2,1-2H3,(H,20,23).
What are the key properties of 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 113004717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).