(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 81125593

IUPAC(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1(C)CCC(NC(=O)N2CCC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)7-5-12(6-8-15)16-14(20)17-9-3-4-11(10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKeyBLXIYMINZIUAMG-NSHDSACASA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81125593) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81125593
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1(C)CCC(NC(=O)N2CCC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2)7-5-12(6-8-15)16-14(20)17-9-3-4-11(10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKeyBLXIYMINZIUAMG-NSHDSACASA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
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
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81123190
1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
CID 43568585
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid (CID 81125593) is (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid is CC1(C)CCC(NC(=O)N2CCC[C@H](C(=O)O)C2)CC1.
What is the InChIKey of (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BLXIYMINZIUAMG-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2)7-5-12(6-8-15)16-14(20)17-9-3-4-11(10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).