1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

C24H29FN4O2 — CID 18125292

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C24H29FN4O2/c25-21-10-4-5-11-22(21)28-13-15-29(16-14-28)23(30)18-27-12-6-7-19(17-27)24(31)26-20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2,(H,26,31)
InChIKeyDSJFACWTAMDBMK-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.83
Rot. Bonds5

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 18125292) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
PubChem CID18125292
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C24H29FN4O2/c25-21-10-4-5-11-22(21)28-13-15-29(16-14-28)23(30)18-27-12-6-7-19(17-27)24(31)26-20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2,(H,26,31)
InChIKeyDSJFACWTAMDBMK-UHFFFAOYSA-N
XLogP2.83
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 60512609
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
(3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538473
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
1-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42926368
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125275
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175013
(3R)-N-(4-hydroxyphenyl)-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 58985278

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide (CID 18125292) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is DSJFACWTAMDBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c25-21-10-4-5-11-22(21)28-13-15-29(16-14-28)23(30)18-27-12-6-7-19(17-27)24(31)26-20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2,(H,26,31).
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 18125292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).