1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid

C15H26N2O3 — CID 106745113

IUPAC1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C15H26N2O3/c1-10-9-12(15(19)20)7-8-17(10)11(2)14(18)16-13-5-3-4-6-13/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKQORSINDOMQDQW-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds4

About 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745113) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745113
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C15H26N2O3/c1-10-9-12(15(19)20)7-8-17(10)11(2)14(18)16-13-5-3-4-6-13/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKQORSINDOMQDQW-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 106744633
N-cyclopentyl-2-(2-formylpiperidin-1-yl)propanamide
CID 62655889
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292
2-(2,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63572213
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249992
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
1-[1-(2,6-dihydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 107711644
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-cyclopentylpropanamide
CID 56781705
1-[1-(4-iodophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083273

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid (CID 106745113) is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is KQORSINDOMQDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-9-12(15(19)20)7-8-17(10)11(2)14(18)16-13-5-3-4-6-13/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid?
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).