N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide

C21H23N3O — CID 54088114

IUPACN-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1(C#N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c1-23(20(25)19-10-6-3-7-11-19)21(17-22)12-14-24(15-13-21)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyMRXPFJFTQQDDIC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.32
Rot. Bonds4

About N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide

N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide (PubChem CID 54088114) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
PubChem CID54088114
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1(C#N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c1-23(20(25)19-10-6-3-7-11-19)21(17-22)12-14-24(15-13-21)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyMRXPFJFTQQDDIC-UHFFFAOYSA-N
XLogP3.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-(1-cyanocyclobutyl)-N-methylpiperidine-3-carboxamide
CID 95281203
ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate
CID 22359901
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide?
The IUPAC name of N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide (CID 54088114) is N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide.
What is the SMILES notation for N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide?
The canonical SMILES for N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)C1(C#N)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide?
The InChIKey is MRXPFJFTQQDDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23(20(25)19-10-6-3-7-11-19)21(17-22)12-14-24(15-13-21)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3.
What are the key properties of N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide?
N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide has a molecular weight of 333.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide is sourced from PubChem (CID 54088114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).