2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

C15H20ClN3O3 — CID 120984969

IUPAC2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O3/c1-22-10-13(17)15(21)19-7-5-18(6-8-19)14(20)11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10,17H2,1H3
InChIKeyOVOGVKOFLKKXJW-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.60
Rot. Bonds4

About 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 120984969) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID120984969
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O3/c1-22-10-13(17)15(21)19-7-5-18(6-8-19)14(20)11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10,17H2,1H3
InChIKeyOVOGVKOFLKKXJW-UHFFFAOYSA-N
XLogP0.60
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988456
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449
2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 120986261
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
butyl 4-(3-chlorobenzoyl)piperazine-1-carboxylate
CID 108567983
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119747878
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803
2-amino-1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120993629

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 120984969) is 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is OVOGVKOFLKKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-22-10-13(17)15(21)19-7-5-18(6-8-19)14(20)11-3-2-4-12(16)9-11/h2-4,9,13H,5-8,10,17H2,1H3.
What are the key properties of 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 325.80 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120984969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).