1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide

C13H21N3O2 — CID 47354865

IUPAC1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
SMILESCCCNC(=O)CCNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-8-15-11(17)5-9-16-12(18)13(10-14)6-3-4-7-13/h2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyVQMBXNVINNNITD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds6

About 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide

1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide (PubChem CID 47354865) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
PubChem CID47354865
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
SMILESCCCNC(=O)CCNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-8-15-11(17)5-9-16-12(18)13(10-14)6-3-4-7-13/h2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyVQMBXNVINNNITD-UHFFFAOYSA-N
XLogP1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
CID 112692116
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
1-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301742
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide (CID 47354865) is 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide is CCCNC(=O)CCNC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide?
The InChIKey is VQMBXNVINNNITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-8-15-11(17)5-9-16-12(18)13(10-14)6-3-4-7-13/h2-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide?
1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47354865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).