4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide

C21H24FN3O2 — CID 3230402

IUPAC4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCC(=O)NC1(c2cccc(F)c2)CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-16(26)24-21(18-8-5-9-19(22)14-18)10-12-25(13-11-21)20(27)23-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyLFNDLWGFMCAVFT-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.16
Rot. Bonds4

About 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide

4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 3230402) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID3230402
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide
SMILESCC(=O)NC1(c2cccc(F)c2)CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-16(26)24-21(18-8-5-9-19(22)14-18)10-12-25(13-11-21)20(27)23-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyLFNDLWGFMCAVFT-UHFFFAOYSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Amperozide
CID 73333
Vestipitant
CID 9832383
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-(3-Tritylaminopropyl)uracil
CID 11589642
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
(2S)-N-[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 24969353
acetic acid;(2S)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44138691
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44140365
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(cyclopropylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51002995

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide (CID 3230402) is 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide is CC(=O)NC1(c2cccc(F)c2)CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is LFNDLWGFMCAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-16(26)24-21(18-8-5-9-19(22)14-18)10-12-25(13-11-21)20(27)23-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide?
4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-benzyl-4-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3230402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).