N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide

C16H20ClN3O — CID 83199456

IUPACN-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-16(2,12-4-3-7-19-10-12)15(21)20-13-6-5-11(9-18)14(17)8-13/h5-6,8,12,19H,3-4,7,10H2,1-2H3,(H,20,21)
InChIKeyWANDKAHBWPXDTC-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.18
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83199456) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83199456
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-16(2,12-4-3-7-19-10-12)15(21)20-13-6-5-11(9-18)14(17)8-13/h5-6,8,12,19H,3-4,7,10H2,1-2H3,(H,20,21)
InChIKeyWANDKAHBWPXDTC-UHFFFAOYSA-N
XLogP3.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199187
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83032094
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
N-(5-bromo-2-chlorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83200174
N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 103885084
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide
CID 71000241
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
CID 83031621
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
N-(3-chloro-4-cyanophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63715589
N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-2-hydroxy-4-(4-hydroxyphenyl)but-3-ynamide
CID 42642184
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 83199456) is N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCNC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is WANDKAHBWPXDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-16(2,12-4-3-7-19-10-12)15(21)20-13-6-5-11(9-18)14(17)8-13/h5-6,8,12,19H,3-4,7,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 305.81 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83199456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).