(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone

C20H21FN2O — CID 90566717

IUPAC(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H21FN2O/c21-17-8-4-7-16(13-17)20(24)23-12-11-22(18-9-10-18)14-19(23)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
InChIKeyCWBVIZNMNFPFDH-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.49
Rot. Bonds3

About (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone

(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone (PubChem CID 90566717) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
PubChem CID90566717
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H21FN2O/c21-17-8-4-7-16(13-17)20(24)23-12-11-22(18-9-10-18)14-19(23)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
InChIKeyCWBVIZNMNFPFDH-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone 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

2,1,3-benzothiadiazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566856
3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566646
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
(4-chloro-3-nitrophenyl)-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566740
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316313
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone (CID 90566717) is (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The InChIKey is CWBVIZNMNFPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-17-8-4-7-16(13-17)20(24)23-12-11-22(18-9-10-18)14-19(23)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2.
What are the key properties of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone?
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone has a molecular weight of 324.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 90566717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).