(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 81125807

IUPAC(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-6-3-4-8-13(11)16(2)15(20)17-9-5-7-12(10-17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)/t11?,12-,13?/m0/s1
InChIKeyXQSOVEKDBIAJSS-CPCZMJQVSA-N
MW282.38 g/mol
LogP2.41
Rot. Bonds2

About (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81125807) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81125807
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-6-3-4-8-13(11)16(2)15(20)17-9-5-7-12(10-17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)/t11?,12-,13?/m0/s1
InChIKeyXQSOVEKDBIAJSS-CPCZMJQVSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
1-[methyl-(2-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55004724
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82742033
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid (CID 81125807) is (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid is CC1CCCCC1N(C)C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XQSOVEKDBIAJSS-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-6-3-4-8-13(11)16(2)15(20)17-9-5-7-12(10-17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)/t11?,12-,13?/m0/s1.
What are the key properties of (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).