[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

C19H29N3O — CID 124956749

IUPAC[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCCC[C@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C19H29N3O/c1-19(9-3-4-12-21(19)2)18(23)22-13-7-17(8-14-22)15-16-5-10-20-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3/t19-/m1/s1
InChIKeyFTWWDFZAWLHMJR-LJQANCHMSA-N
MW315.46 g/mol
LogP2.74
Rot. Bonds3

About [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone

[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124956749) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID124956749
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCCC[C@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1
InChIInChI=1S/C19H29N3O/c1-19(9-3-4-12-21(19)2)18(23)22-13-7-17(8-14-22)15-16-5-10-20-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3/t19-/m1/s1
InChIKeyFTWWDFZAWLHMJR-LJQANCHMSA-N
XLogP2.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone 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

1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 124954485
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95827488
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
4-(pyridin-4-ylmethyl)piperidine-1-carbaldehyde
CID 175396655
(1-hydroxycyclopentyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 110912966
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone (CID 124956749) is [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is CN1CCCC[C@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1.
What is the InChIKey of [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FTWWDFZAWLHMJR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O/c1-19(9-3-4-12-21(19)2)18(23)22-13-7-17(8-14-22)15-16-5-10-20-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3/t19-/m1/s1.
What are the key properties of [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone?
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124956749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).