N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide

C23H27N3O — CID 91842439

IUPACN-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-25(18-20-8-4-2-5-9-20)22(27)12-15-26-16-13-23(19-24,14-17-26)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3
InChIKeyFDXWGAZFYBFZMG-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.59
Rot. Bonds6

About N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide

N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide (PubChem CID 91842439) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
PubChem CID91842439
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-25(18-20-8-4-2-5-9-20)22(27)12-15-26-16-13-23(19-24,14-17-26)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3
InChIKeyFDXWGAZFYBFZMG-UHFFFAOYSA-N
XLogP3.59
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide
CID 72918991
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-phenylpiperidine-4-carbonitrile
CID 57122337
N-benzyl-N-methyl-3-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 56910301
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
1-[[3-[1-(dimethylamino)ethyl]phenyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77097038
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
2-amino-3-[3-[(4-cyano-4-phenylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 11610247
1-[(4-cyanophenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 44768233

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide (CID 91842439) is N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCN1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide?
The InChIKey is FDXWGAZFYBFZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25(18-20-8-4-2-5-9-20)22(27)12-15-26-16-13-23(19-24,14-17-26)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3.
What are the key properties of N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide?
N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide has a molecular weight of 361.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-cyano-4-phenylpiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 91842439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).