3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one

C15H21N3O2 — CID 2756480

IUPAC3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)CCN)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-12-2-4-13(5-3-12)15(20)18-10-8-17(9-11-18)14(19)6-7-16/h2-5H,6-11,16H2,1H3
InChIKeyWUCAMQBKIKXYPV-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.63
Rot. Bonds3

About 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 2756480) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID2756480
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)CCN)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-12-2-4-13(5-3-12)15(20)18-10-8-17(9-11-18)14(19)6-7-16/h2-5H,6-11,16H2,1H3
InChIKeyWUCAMQBKIKXYPV-UHFFFAOYSA-N
XLogP0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-methylbenzoyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4739681
3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119309527
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422476
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365425
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
methyl 4-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797625
1-(4-methylphenyl)-4-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]butane-1,4-dione
CID 108534832
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
3-(4-methylphenyl)-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544301

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one (CID 2756480) is 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one is Cc1ccc(C(=O)N2CCN(C(=O)CCN)CC2)cc1.
What is the InChIKey of 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is WUCAMQBKIKXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-2-4-13(5-3-12)15(20)18-10-8-17(9-11-18)14(19)6-7-16/h2-5H,6-11,16H2,1H3.
What are the key properties of 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 275.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 2756480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).