3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide

C23H27N3O — CID 11302909

IUPAC3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCC1CN(CCc2cccc(C#N)c2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27N3O/c1-17-16-26(11-9-18-5-3-6-19(13-18)15-24)12-10-23(17,2)21-8-4-7-20(14-21)22(25)27/h3-8,13-14,17H,9-12,16H2,1-2H3,(H2,25,27)
InChIKeyORCPMSHSNBDPPE-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.50
Rot. Bonds5

About 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide

3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide (PubChem CID 11302909) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
PubChem CID11302909
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCC1CN(CCc2cccc(C#N)c2)CCC1(C)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27N3O/c1-17-16-26(11-9-18-5-3-6-19(13-18)15-24)12-10-23(17,2)21-8-4-7-20(14-21)22(25)27/h3-8,13-14,17H,9-12,16H2,1-2H3,(H2,25,27)
InChIKeyORCPMSHSNBDPPE-UHFFFAOYSA-N
XLogP3.50
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11187573
3-[(3S,4S)-1-[2-[3-(1-hydroxycyclohexyl)phenyl]ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11351026
3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11199610
3-[(3R,4R)-1-(3-hydroxydecyl)-3,4-dimethylpiperidin-4-yl]benzamide
CID 142836852
3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11440581
3-[(3R,4R)-3,4-dimethyl-1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]phenol
CID 10381553
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178
3-[2-(3-methylpyrrolidin-1-yl)ethyl]benzonitrile
CID 76775692
3-[3,4-dimethyl-1-[(2-pyridin-4-ylphenyl)methyl]piperidin-4-yl]benzamide
CID 67233820
methyl 3-(1-benzyl-3,4-dimethylpiperidin-4-yl)benzoate
CID 22645405
3-[(3R,4R)-1-[(2S)-2-carboxy-3-phenylpropyl]-3,4-dimethylpiperidin-4-yl]benzoic acid
CID 59730473
3-[(3R,4R)-3,4-dimethyl-1-[[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylphenyl]methyl]piperidin-4-yl]benzamide
CID 91355735

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The IUPAC name of 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide (CID 11302909) is 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide is CC1CN(CCc2cccc(C#N)c2)CCC1(C)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The InChIKey is ORCPMSHSNBDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-16-26(11-9-18-5-3-6-19(13-18)15-24)12-10-23(17,2)21-8-4-7-20(14-21)22(25)27/h3-8,13-14,17H,9-12,16H2,1-2H3,(H2,25,27).
What are the key properties of 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide?
3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide is sourced from PubChem (CID 11302909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).