4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one

C17H22FN3O2 — CID 141087641

IUPAC4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one
SMILESNC(Cc1ccc(F)cc1)C(=O)N1CCNC(=O)C1CC1CC1
InChIInChI=1S/C17H22FN3O2/c18-13-5-3-11(4-6-13)9-14(19)17(23)21-8-7-20-16(22)15(21)10-12-1-2-12/h3-6,12,14-15H,1-2,7-10,19H2,(H,20,22)
InChIKeyPSHXRGCBDRXZAA-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.82
Rot. Bonds5

About 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one

4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one (PubChem CID 141087641) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one
PubChem CID141087641
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one
SMILESNC(Cc1ccc(F)cc1)C(=O)N1CCNC(=O)C1CC1CC1
InChIInChI=1S/C17H22FN3O2/c18-13-5-3-11(4-6-13)9-14(19)17(23)21-8-7-20-16(22)15(21)10-12-1-2-12/h3-6,12,14-15H,1-2,7-10,19H2,(H,20,22)
InChIKeyPSHXRGCBDRXZAA-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3S)-4-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 58737071
4-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-3-methylpiperazin-2-one
CID 63606215
bis(4-[(2S)-2-amino-3-phenylpropanoyl]-3-(2-methylpropyl)-1,4-diazepan-2-one);hydrate
CID 70477417
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 128862754
(2S)-1-[2-amino-3-(4-fluorophenyl)propanoyl]-2,5-dihydropyrrole-2-carbonitrile
CID 70014813
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
CID 128862882
acetonitrile;(2S)-2-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904143
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propylpiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 11756364

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one?
The IUPAC name of 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one (CID 141087641) is 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one.
What is the SMILES notation for 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one?
The canonical SMILES for 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one is NC(Cc1ccc(F)cc1)C(=O)N1CCNC(=O)C1CC1CC1.
What is the InChIKey of 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one?
The InChIKey is PSHXRGCBDRXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-13-5-3-11(4-6-13)9-14(19)17(23)21-8-7-20-16(22)15(21)10-12-1-2-12/h3-6,12,14-15H,1-2,7-10,19H2,(H,20,22).
What are the key properties of 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one?
4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one has a molecular weight of 319.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)piperazin-2-one is sourced from PubChem (CID 141087641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).