1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C16H28N2O3 — CID 114425643

IUPAC1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CC(C)CC(NC(=O)N2CCC(C)CC2C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-10-4-5-18(14(9-10)15(19)20)16(21)17-13-7-11(2)6-12(3)8-13/h10-14H,4-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyUXNCXTRHKMPQDC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.71
Rot. Bonds2

About 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425643) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425643
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CC(C)CC(NC(=O)N2CCC(C)CC2C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-10-4-5-18(14(9-10)15(19)20)16(21)17-13-7-11(2)6-12(3)8-13/h10-14H,4-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyUXNCXTRHKMPQDC-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114549127
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425473
1-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425181
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425404
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425643) is 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CC(C)CC(NC(=O)N2CCC(C)CC2C(=O)O)C1.
What is the InChIKey of 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is UXNCXTRHKMPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-4-5-18(14(9-10)15(19)20)16(21)17-13-7-11(2)6-12(3)8-13/h10-14H,4-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).