N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

C21H24FN3O2 — CID 650083

IUPACN-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H24FN3O2/c22-19-9-5-4-8-17(19)14-23-20(26)15-25-12-10-18(11-13-25)24-21(27)16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,26)(H,24,27)
InChIKeyLJRBIPYUCLSKJK-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.34
Rot. Bonds6

About N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 650083) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID650083
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H24FN3O2/c22-19-9-5-4-8-17(19)14-23-20(26)15-25-12-10-18(11-13-25)24-21(27)16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,26)(H,24,27)
InChIKeyLJRBIPYUCLSKJK-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AR-M1000390
CID 9841259
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CID 40598
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
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ChiRYun
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CID 835134
3,6-Dibenzyl-2,5-dioxopiperazine
CID 16829
N-4-Piperidylbenzamide
CID 118120
Benzo(2'-(1-benzyl-4-piperidyl))hydrazide
CID 73103
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 650083) is N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F.
What is the InChIKey of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is LJRBIPYUCLSKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-19-9-5-4-8-17(19)14-23-20(26)15-25-12-10-18(11-13-25)24-21(27)16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 650083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).