2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide

C21H27N3O — CID 97227448

IUPAC2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C21H27N3O/c1-16-6-3-7-17(2)20(16)21(25)23-13-19-9-5-11-24(15-19)14-18-8-4-10-22-12-18/h3-4,6-8,10,12,19H,5,9,11,13-15H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyGETVEBKBLAHRIK-IBGZPJMESA-N
MW337.47 g/mol
LogP3.34
Rot. Bonds5

About 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide

2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 97227448) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
PubChem CID97227448
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESCc1cccc(C)c1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C21H27N3O/c1-16-6-3-7-17(2)20(16)21(25)23-13-19-9-5-11-24(15-19)14-18-8-4-10-22-12-18/h3-4,6-8,10,12,19H,5,9,11,13-15H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyGETVEBKBLAHRIK-IBGZPJMESA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
CID 96563164
3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95229690
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-methyl-N-[[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131948015

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide (CID 97227448) is 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide is Cc1cccc(C)c1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is GETVEBKBLAHRIK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-6-3-7-17(2)20(16)21(25)23-13-19-9-5-11-24(15-19)14-18-8-4-10-22-12-18/h3-4,6-8,10,12,19H,5,9,11,13-15H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide?
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 97227448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).