2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one

C18H27N3O3 — CID 119710130

IUPAC2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-4-9-18(2,19)17(23)21-12-10-20(11-13-21)16(22)14-5-7-15(24-3)8-6-14/h5-8H,4,9-13,19H2,1-3H3
InChIKeyLQMRTZSDSYPJDJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.50
Rot. Bonds5

About 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one

2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one (PubChem CID 119710130) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
PubChem CID119710130
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-4-9-18(2,19)17(23)21-12-10-20(11-13-21)16(22)14-5-7-15(24-3)8-6-14/h5-8H,4,9-13,19H2,1-3H3
InChIKeyLQMRTZSDSYPJDJ-UHFFFAOYSA-N
XLogP1.50
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704901
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
2-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704945
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119747881
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
2,2-diamino-1-(4-methoxyphenyl)pentan-1-one
CID 163211686
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one (CID 119710130) is 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is LQMRTZSDSYPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-9-18(2,19)17(23)21-12-10-20(11-13-21)16(22)14-5-7-15(24-3)8-6-14/h5-8H,4,9-13,19H2,1-3H3.
What are the key properties of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one?
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 333.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 119710130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).