3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid

C17H30N2O3 — CID 83998522

IUPAC3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
SMILESCC(=O)N1CC(CCC(=O)O)CC(NCC2CCCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-13(20)19-11-15(7-8-17(21)22)9-16(12-19)18-10-14-5-3-2-4-6-14/h14-16,18H,2-12H2,1H3,(H,21,22)
InChIKeyQAQIQWORGYYYTQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.26
Rot. Bonds6

About 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid

3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid (PubChem CID 83998522) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
PubChem CID83998522
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
SMILESCC(=O)N1CC(CCC(=O)O)CC(NCC2CCCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-13(20)19-11-15(7-8-17(21)22)9-16(12-19)18-10-14-5-3-2-4-6-14/h14-16,18H,2-12H2,1H3,(H,21,22)
InChIKeyQAQIQWORGYYYTQ-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-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
3-[1-cyclobutyl-5-(cyclopentylmethylamino)piperidin-3-yl]propanoic acid
CID 83998032
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367

Frequently Asked Questions

What is the IUPAC name of 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid (CID 83998522) is 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid is CC(=O)N1CC(CCC(=O)O)CC(NCC2CCCCC2)C1.
What is the InChIKey of 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid?
The InChIKey is QAQIQWORGYYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13(20)19-11-15(7-8-17(21)22)9-16(12-19)18-10-14-5-3-2-4-6-14/h14-16,18H,2-12H2,1H3,(H,21,22).
What are the key properties of 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid?
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic 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 3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83998522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).