3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one

C20H23N3O2 — CID 119683415

IUPAC3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c21-15-18(16-7-3-1-4-8-16)20(25)23-13-11-22(12-14-23)19(24)17-9-5-2-6-10-17/h1-10,18H,11-15,21H2
InChIKeyJQVRYTTYOQQLGC-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.71
Rot. Bonds4

About 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one

3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one (PubChem CID 119683415) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
PubChem CID119683415
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c21-15-18(16-7-3-1-4-8-16)20(25)23-13-11-22(12-14-23)19(24)17-9-5-2-6-10-17/h1-10,18H,11-15,21H2
InChIKeyJQVRYTTYOQQLGC-UHFFFAOYSA-N
XLogP1.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one
CID 94888789
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 86777183
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one
CID 62877976
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one (CID 119683415) is 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one is NCC(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one?
The InChIKey is JQVRYTTYOQQLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-15-18(16-7-3-1-4-8-16)20(25)23-13-11-22(12-14-23)19(24)17-9-5-2-6-10-17/h1-10,18H,11-15,21H2.
What are the key properties of 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one?
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one has a molecular weight of 337.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 119683415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).