5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

C17H20ClN3O — CID 138382589

IUPAC5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CC2CCN(Cc3ccncc3Cl)CC2)c[nH]1
InChIInChI=1S/C17H20ClN3O/c18-16-11-19-6-3-15(16)12-21-7-4-13(5-8-21)9-14-1-2-17(22)20-10-14/h1-3,6,10-11,13H,4-5,7-9,12H2,(H,20,22)
InChIKeyJJKQTPFBXMQKML-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.88
Rot. Bonds4

About 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138382589) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138382589
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CC2CCN(Cc3ccncc3Cl)CC2)c[nH]1
InChIInChI=1S/C17H20ClN3O/c18-16-11-19-6-3-15(16)12-21-7-4-13(5-8-21)9-14-1-2-17(22)20-10-14/h1-3,6,10-11,13H,4-5,7-9,12H2,(H,20,22)
InChIKeyJJKQTPFBXMQKML-UHFFFAOYSA-N
XLogP2.88
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one 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-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 138386833
4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
5-[[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 171908399
5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138380020
1-(azepan-1-yl)-4-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 138379375
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553973
5-[[1-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138381061
8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 71683220

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138382589) is 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is O=c1ccc(CC2CCN(Cc3ccncc3Cl)CC2)c[nH]1.
What is the InChIKey of 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is JJKQTPFBXMQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-16-11-19-6-3-15(16)12-21-7-4-13(5-8-21)9-14-1-2-17(22)20-10-14/h1-3,6,10-11,13H,4-5,7-9,12H2,(H,20,22).
What are the key properties of 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 317.82 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138382589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).