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

C15H26N2O3 — CID 114549127

IUPAC1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCC(C)(C)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-5-7-17(12(8-10)13(18)19)14(20)16-11-4-6-15(2,3)9-11/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPOMSUZGTKNCGHT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

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

1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114549127) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114549127
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCC(C)(C)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-5-7-17(12(8-10)13(18)19)14(20)16-11-4-6-15(2,3)9-11/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPOMSUZGTKNCGHT-UHFFFAOYSA-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-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364557
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425473
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071939
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
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
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
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114549127) is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NC2CCC(C)(C)C2)C(C(=O)O)C1.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is POMSUZGTKNCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-7-17(12(8-10)13(18)19)14(20)16-11-4-6-15(2,3)9-11/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-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 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114549127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).