N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide

C12H19N3O3 — CID 113408101

IUPACN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(=O)NC1)C(=O)NC1CC1
InChIInChI=1S/C12H19N3O3/c1-7(11(17)15-9-3-4-9)14-12(18)8-2-5-10(16)13-6-8/h7-9H,2-6H2,1H3,(H,13,16)(H,14,18)(H,15,17)
InChIKeyQUCKOGKKVWMIEQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.70
Rot. Bonds4

About N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 113408101) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
PubChem CID113408101
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(=O)NC1)C(=O)NC1CC1
InChIInChI=1S/C12H19N3O3/c1-7(11(17)15-9-3-4-9)14-12(18)8-2-5-10(16)13-6-8/h7-9H,2-6H2,1H3,(H,13,16)(H,14,18)(H,15,17)
InChIKeyQUCKOGKKVWMIEQ-UHFFFAOYSA-N
XLogP-0.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115900350
N-(1-ethoxy-3-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103274805

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide (CID 113408101) is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide is CC(NC(=O)C1CCC(=O)NC1)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QUCKOGKKVWMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(11(17)15-9-3-4-9)14-12(18)8-2-5-10(16)13-6-8/h7-9H,2-6H2,1H3,(H,13,16)(H,14,18)(H,15,17).
What are the key properties of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide?
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 113408101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).