5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid

C16H30N2O2 — CID 83999077

IUPAC5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)CN1CC(NC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)9-18-10-13(16(19)20)8-15(11-18)17-14-6-4-3-5-7-14/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyCGHLDMVXKHCRGF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds5

About 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid

5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid (PubChem CID 83999077) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
PubChem CID83999077
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)CN1CC(NC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)9-18-10-13(16(19)20)8-15(11-18)17-14-6-4-3-5-7-14/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyCGHLDMVXKHCRGF-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999596
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 83991679
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
3-(cyclopentylamino)cyclobutane-1-carboxylic acid
CID 117027696
N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
CID 126996805
(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 56868089
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid (CID 83999077) is 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid is CC(C)CN1CC(NC2CCCCC2)CC(C(=O)O)C1.
What is the InChIKey of 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid?
The InChIKey is CGHLDMVXKHCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)9-18-10-13(16(19)20)8-15(11-18)17-14-6-4-3-5-7-14/h12-15,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid?
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83999077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).