1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone

C21H24ClN3O3 — CID 56520625

IUPAC1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-15(2)28-19-7-6-16(22)13-18(19)21(27)25-11-9-24(10-12-25)20(26)14-17-5-3-4-8-23-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXBPVOJVGJHSRCY-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56520625) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56520625
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-15(2)28-19-7-6-16(22)13-18(19)21(27)25-11-9-24(10-12-25)20(26)14-17-5-3-4-8-23-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXBPVOJVGJHSRCY-UHFFFAOYSA-N
XLogP3.05
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

(5-chloro-2-propan-2-yloxyphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779930
2-(3,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56521781
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
[4-[5-chloro-2-(2-methylpropoxy)benzoyl]piperazin-1-yl]-[5-chloro-2-(2-methylpropoxy)phenyl]methanone
CID 51059993
1-[4-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520501
1-[4-(2-phenoxybenzoyl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 47084885
(5-chloro-2-propan-2-yloxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644440
3-(2-methylpropoxy)-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56801224
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone
CID 124611154
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-[2-(difluoromethoxy)phenyl]ethanone
CID 86970683
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
2-(5-chloro-2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767256

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56520625) is 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone is CC(C)Oc1ccc(Cl)cc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is XBPVOJVGJHSRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-15(2)28-19-7-6-16(22)13-18(19)21(27)25-11-9-24(10-12-25)20(26)14-17-5-3-4-8-23-17/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 401.89 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56520625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).