1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid

C17H30N2O3 — CID 83998555

IUPAC1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
SMILESCCCC(=O)N1CC(NCC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C17H30N2O3/c1-2-6-16(20)19-11-14(17(21)22)9-15(12-19)18-10-13-7-4-3-5-8-13/h13-15,18H,2-12H2,1H3,(H,21,22)
InChIKeyUZQBXFABAPGMIZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.26
Rot. Bonds6

About 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid

1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid (PubChem CID 83998555) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
PubChem CID83998555
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
SMILESCCCC(=O)N1CC(NCC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C17H30N2O3/c1-2-6-16(20)19-11-14(17(21)22)9-15(12-19)18-10-13-7-4-3-5-8-13/h13-15,18H,2-12H2,1H3,(H,21,22)
InChIKeyUZQBXFABAPGMIZ-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83997868
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
1-cyclopentyl-5-(cyclopentylmethylamino)piperidine-3-carboxylic acid
CID 83997980
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
methyl 1-butanoylazetidine-3-carboxylate
CID 54459315
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid (CID 83998555) is 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid is CCCC(=O)N1CC(NCC2CCCCC2)CC(C(=O)O)C1.
What is the InChIKey of 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid?
The InChIKey is UZQBXFABAPGMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-6-16(20)19-11-14(17(21)22)9-15(12-19)18-10-13-7-4-3-5-8-13/h13-15,18H,2-12H2,1H3,(H,21,22).
What are the key properties of 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid?
1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83998555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).