N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide

C16H18N4O — CID 107790601

IUPACN-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
SMILESN#Cc1ccc(NC(=O)CCC2CCCNC2)cc1C#N
InChIInChI=1S/C16H18N4O/c17-9-13-4-5-15(8-14(13)10-18)20-16(21)6-3-12-2-1-7-19-11-12/h4-5,8,12,19H,1-3,6-7,11H2,(H,20,21)
InChIKeyVMFTWWSIKNMKIW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.15
Rot. Bonds4

About N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide

N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide (PubChem CID 107790601) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
PubChem CID107790601
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
SMILESN#Cc1ccc(NC(=O)CCC2CCCNC2)cc1C#N
InChIInChI=1S/C16H18N4O/c17-9-13-4-5-15(8-14(13)10-18)20-16(21)6-3-12-2-1-7-19-11-12/h4-5,8,12,19H,1-3,6-7,11H2,(H,20,21)
InChIKeyVMFTWWSIKNMKIW-UHFFFAOYSA-N
XLogP2.15
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 107795108
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
CID 62674886
5-iodo-2-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 63111622
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
5-bromo-N-(3,4-dicyanophenyl)pentanamide
CID 114014947
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide
CID 114932254
N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide
CID 107790274
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
N-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]-3-piperidin-3-ylpropanamide
CID 57007564

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide?
The IUPAC name of N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide (CID 107790601) is N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide is N#Cc1ccc(NC(=O)CCC2CCCNC2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide?
The InChIKey is VMFTWWSIKNMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-9-13-4-5-15(8-14(13)10-18)20-16(21)6-3-12-2-1-7-19-11-12/h4-5,8,12,19H,1-3,6-7,11H2,(H,20,21).
What are the key properties of N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide?
N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 107790601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).