N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide

C15H18ClN3O — CID 62211574

IUPACN-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CCC1CCCCN1
InChIInChI=1S/C15H18ClN3O/c16-12-5-4-11(10-17)14(9-12)19-15(20)7-6-13-3-1-2-8-18-13/h4-5,9,13,18H,1-3,6-8H2,(H,19,20)
InChIKeyLWTNDJDENNTAHI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.07
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide

N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 62211574) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
PubChem CID62211574
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CCC1CCCCN1
InChIInChI=1S/C15H18ClN3O/c16-12-5-4-11(10-17)14(9-12)19-15(20)7-6-13-3-1-2-8-18-13/h4-5,9,13,18H,1-3,6-8H2,(H,19,20)
InChIKeyLWTNDJDENNTAHI-UHFFFAOYSA-N
XLogP3.07
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63876656
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide
CID 60513773
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide (CID 62211574) is N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide is N#Cc1ccc(Cl)cc1NC(=O)CCC1CCCCN1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is LWTNDJDENNTAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-5-4-11(10-17)14(9-12)19-15(20)7-6-13-3-1-2-8-18-13/h4-5,9,13,18H,1-3,6-8H2,(H,19,20).
What are the key properties of N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide?
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).