[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H24ClN5O — CID 131908612

IUPAC[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(N2CCN(c3ncccc3Cl)CC2)CC1
InChIInChI=1S/C20H24ClN5O/c21-18-2-1-7-23-19(18)25-14-12-24(13-15-25)17-5-10-26(11-6-17)20(27)16-3-8-22-9-4-16/h1-4,7-9,17H,5-6,10-15H2
InChIKeyYRJICROBGXEACA-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.56
Rot. Bonds3

About [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 131908612) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID131908612
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(N2CCN(c3ncccc3Cl)CC2)CC1
InChIInChI=1S/C20H24ClN5O/c21-18-2-1-7-23-19(18)25-14-12-24(13-15-25)17-5-10-26(11-6-17)20(27)16-3-8-22-9-4-16/h1-4,7-9,17H,5-6,10-15H2
InChIKeyYRJICROBGXEACA-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone 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

[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 131897535
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
CID 131905549
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[3-chloro-4-(pyrimidin-2-ylamino)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 118731636
[(3S)-3-[4-(6-chloroisoquinolin-1-yl)piperazin-1-yl]pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 143257075
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
[4-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 72849329
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 131908612) is [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(N2CCN(c3ncccc3Cl)CC2)CC1.
What is the InChIKey of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is YRJICROBGXEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-18-2-1-7-23-19(18)25-14-12-24(13-15-25)17-5-10-26(11-6-17)20(27)16-3-8-22-9-4-16/h1-4,7-9,17H,5-6,10-15H2.
What are the key properties of [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 385.90 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 131908612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).