4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one

C16H23N3O2 — CID 119951226

IUPAC4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-11(2)15-16(21)18-8-9-19(15)14(20)10-13(17)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10,17H2,1-2H3,(H,18,21)
InChIKeyUYMBHAXACOMRRK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.06
Rot. Bonds4

About 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one

4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one (PubChem CID 119951226) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
PubChem CID119951226
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-11(2)15-16(21)18-8-9-19(15)14(20)10-13(17)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10,17H2,1-2H3,(H,18,21)
InChIKeyUYMBHAXACOMRRK-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110873304
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
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(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
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(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 125146845
4-[2-(6-chloro-3-pyridinyl)acetyl]-3-propan-2-ylpiperazin-2-one
CID 71876682
4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028386
(3S)-3-amino-1-[(2S)-2-hydroxy-1,3-oxazolidin-3-yl]-3-phenylpropan-1-one;hydrochloride
CID 174370623
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97120229
(3R)-4-[3-(2,5-difluorophenyl)propanoyl]-3-propan-2-ylpiperazin-2-one
CID 95324238

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one (CID 119951226) is 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)NCCN1C(=O)CC(N)c1ccccc1.
What is the InChIKey of 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is UYMBHAXACOMRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15-16(21)18-8-9-19(15)14(20)10-13(17)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10,17H2,1-2H3,(H,18,21).
What are the key properties of 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one?
4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 119951226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).