6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid

C15H26N2O4 — CID 122113639

IUPAC6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
SMILESCC(C)NC(=O)CCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H26N2O4/c1-10(2)16-13(18)5-4-6-14(19)17-9-12(15(20)21)8-7-11(17)3/h10-12H,4-9H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyKGVYIVMDCIACJP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.39
Rot. Bonds6

About 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid

6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid (PubChem CID 122113639) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
PubChem CID122113639
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
SMILESCC(C)NC(=O)CCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H26N2O4/c1-10(2)16-13(18)5-4-6-14(19)17-9-12(15(20)21)8-7-11(17)3/h10-12H,4-9H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyKGVYIVMDCIACJP-UHFFFAOYSA-N
XLogP1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122083544
6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
CID 122113402
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
6-methyl-1-[5-oxo-5-(2,4,6-trimethylphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 122113933
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
5-[(2R,6S)-4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 124884412
1-[2-(cyclopropylmethoxy)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113926
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
6-methyl-1-[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 122112763
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid (CID 122113639) is 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid is CC(C)NC(=O)CCCC(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid?
The InChIKey is KGVYIVMDCIACJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)16-13(18)5-4-6-14(19)17-9-12(15(20)21)8-7-11(17)3/h10-12H,4-9H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122113639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).