4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid

C15H28N2O3 — CID 63124532

IUPAC4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
SMILESCCCC(C)NC(=O)C(C)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-6-11(2)16-13(18)12(3)17-9-7-15(4,8-10-17)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyJWBHMBFPLXVHOL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds6

About 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid

4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 63124532) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID63124532
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
SMILESCCCC(C)NC(=O)C(C)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-6-11(2)16-13(18)12(3)17-9-7-15(4,8-10-17)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyJWBHMBFPLXVHOL-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
CID 107160523
4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124499
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148953
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148720
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
2-(2,2-dimethylpiperazin-1-yl)-N-pentan-2-ylpropanamide
CID 65460979
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63339834
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid (CID 63124532) is 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid is CCCC(C)NC(=O)C(C)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is JWBHMBFPLXVHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-11(2)16-13(18)12(3)17-9-7-15(4,8-10-17)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid?
4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).