1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C13H24N2O3 — CID 55179110

IUPAC1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCN(C(=O)N1CCC(C)(C(=O)O)CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-15(10(2)3)12(18)14-8-6-13(4,7-9-14)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyXPHYIPVDIRQFFL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds3

About 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 55179110) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID55179110
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCN(C(=O)N1CCC(C)(C(=O)O)CC1)C(C)C
InChIInChI=1S/C13H24N2O3/c1-5-15(10(2)3)12(18)14-8-6-13(4,7-9-14)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyXPHYIPVDIRQFFL-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179302
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124654
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146995
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124064
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 106917346
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63162238

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 55179110) is 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is CCN(C(=O)N1CCC(C)(C(=O)O)CC1)C(C)C.
What is the InChIKey of 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is XPHYIPVDIRQFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-15(10(2)3)12(18)14-8-6-13(4,7-9-14)11(16)17/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55179110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).