N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide

C12H21N3O2 — CID 116657686

IUPACN-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-9(11(16)14-10-5-6-10)13-12(17)15-7-3-2-4-8-15/h9-10H,2-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyIRGQJZBXLZLAAT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.85
Rot. Bonds3

About N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide (PubChem CID 116657686) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
PubChem CID116657686
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-9(11(16)14-10-5-6-10)13-12(17)15-7-3-2-4-8-15/h9-10H,2-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyIRGQJZBXLZLAAT-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 44549258
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide (CID 116657686) is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide is CC(NC(=O)N1CCCCC1)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
The InChIKey is IRGQJZBXLZLAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(11(16)14-10-5-6-10)13-12(17)15-7-3-2-4-8-15/h9-10H,2-8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide?
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 116657686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).