(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 81126261

IUPAC(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C)CC(NC(=O)N2CCC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-10-6-11(2)8-13(7-10)16-15(20)17-5-3-4-12(9-17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,12-,13?/m0/s1
InChIKeyMAZZHEWMLZZRDN-ARAJFMJPSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds2

About (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81126261) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81126261
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C)CC(NC(=O)N2CCC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-10-6-11(2)8-13(7-10)16-15(20)17-5-3-4-12(9-17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,12-,13?/m0/s1
InChIKeyMAZZHEWMLZZRDN-ARAJFMJPSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid (CID 81126261) is (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C)CC(NC(=O)N2CCC[C@H](C(=O)O)C2)C1.
What is the InChIKey of (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MAZZHEWMLZZRDN-ARAJFMJPSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-6-11(2)8-13(7-10)16-15(20)17-5-3-4-12(9-17)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)/t10?,11?,12-,13?/m0/s1.
What are the key properties of (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81126261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).