4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide

C24H28FN3O2 — CID 91943726

IUPAC4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CC=Cc1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-27(23(29)9-5-6-19-10-12-21(25)13-11-19)18-20-14-16-28(17-15-20)24(30)26-22-7-3-2-4-8-22/h2-8,10-13,20H,9,14-18H2,1H3,(H,26,30)
InChIKeyHBZCPPHDUFWXDF-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.63
Rot. Bonds6

About 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide

4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 91943726) has the molecular formula C24H28FN3O2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID91943726
Molecular FormulaC24H28FN3O2
Molecular Weight409.50 g/mol
Exact Mass409.22
IUPAC Name4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CC=Cc1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-27(23(29)9-5-6-19-10-12-21(25)13-11-19)18-20-14-16-28(17-15-20)24(30)26-22-7-3-2-4-8-22/h2-8,10-13,20H,9,14-18H2,1H3,(H,26,30)
InChIKeyHBZCPPHDUFWXDF-UHFFFAOYSA-N
XLogP4.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75400177
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75395580
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
4-[[[(2S)-2-(2-chlorophenoxy)butanoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 97251414
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 126804910
4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
CID 19771987

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide (CID 91943726) is 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide is CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CC=Cc1ccc(F)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is HBZCPPHDUFWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-27(23(29)9-5-6-19-10-12-21(25)13-11-19)18-20-14-16-28(17-15-20)24(30)26-22-7-3-2-4-8-22/h2-8,10-13,20H,9,14-18H2,1H3,(H,26,30).
What are the key properties of 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 91943726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).