(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid

C15H26N2O3 — CID 81120508

IUPAC(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(10-17)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11?,13-/m1/s1
InChIKeyIKDZBHGLXZBOFE-GLGOKHISSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds3

About (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81120508) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81120508
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(10-17)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11?,13-/m1/s1
InChIKeyIKDZBHGLXZBOFE-GLGOKHISSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 104876966
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid (CID 81120508) is (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid is CC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C1CCCCC1.
What is the InChIKey of (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is IKDZBHGLXZBOFE-GLGOKHISSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(10-17)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11?,13-/m1/s1.
What are the key properties of (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).