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

C16H21N3O — CID 62982663

IUPACN-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCC1CCNCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-19(15-5-2-14(12-17)3-6-15)16(20)7-4-13-8-10-18-11-9-13/h2-3,5-6,13,18H,4,7-11H2,1H3
InChIKeyRHLQXZXPVIAJEL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.30
Rot. Bonds4

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

N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide (PubChem CID 62982663) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide
PubChem CID62982663
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCC1CCNCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-19(15-5-2-14(12-17)3-6-15)16(20)7-4-13-8-10-18-11-9-13/h2-3,5-6,13,18H,4,7-11H2,1H3
InChIKeyRHLQXZXPVIAJEL-UHFFFAOYSA-N
XLogP2.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 86814370
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62212277
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
3-cyclopentyl-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61130763
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
CID 62982751
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide (CID 62982663) is N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide is CN(C(=O)CCC1CCNCC1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide?
The InChIKey is RHLQXZXPVIAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(15-5-2-14(12-17)3-6-15)16(20)7-4-13-8-10-18-11-9-13/h2-3,5-6,13,18H,4,7-11H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide?
N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62982663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).