2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C20H30ClN5O — CID 58826219

IUPAC2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCc1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C20H30ClN5O/c1-16-13-18(21)20(22-14-16)26-7-5-23(6-8-26)15-19(27)25-11-9-24(10-12-25)17-3-2-4-17/h13-14,17H,2-12,15H2,1H3
InChIKeyYYYGCVREVVTDKX-UHFFFAOYSA-N
MW391.95 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 58826219) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID58826219
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC Name2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCc1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C20H30ClN5O/c1-16-13-18(21)20(22-14-16)26-7-5-23(6-8-26)15-19(27)25-11-9-24(10-12-25)17-3-2-4-17/h13-14,17H,2-12,15H2,1H3
InChIKeyYYYGCVREVVTDKX-UHFFFAOYSA-N
XLogP1.86
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13771024
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 155563301
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
N-(benzylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 2999184
N-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl)urea
CID 3822186
N-(tert-butylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 5701540
[1-[(6-Chloro-3-pyridinyl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
CID 10967824
1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-(methylamino)ethan-1-one hydrochloride
CID 16195952
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 155516494
1-[4-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 67508229
1-[4-[5-Chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 67508879

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 58826219) is 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is Cc1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is YYYGCVREVVTDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5O/c1-16-13-18(21)20(22-14-16)26-7-5-23(6-8-26)15-19(27)25-11-9-24(10-12-25)17-3-2-4-17/h13-14,17H,2-12,15H2,1H3.
What are the key properties of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 391.95 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58826219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).