1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide

C27H27FN2O3 — CID 23600304

IUPAC1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C27H27FN2O3/c1-33-24-14-8-5-9-20(24)19-29-26(32)27(21-10-3-2-4-11-21)15-17-30(18-16-27)25(31)22-12-6-7-13-23(22)28/h2-14H,15-19H2,1H3,(H,29,32)
InChIKeyCGKYGDHGJIAZOL-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.32
Rot. Bonds6

About 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide

1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 23600304) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID23600304
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C27H27FN2O3/c1-33-24-14-8-5-9-20(24)19-29-26(32)27(21-10-3-2-4-11-21)15-17-30(18-16-27)25(31)22-12-6-7-13-23(22)28/h2-14H,15-19H2,1H3,(H,29,32)
InChIKeyCGKYGDHGJIAZOL-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
1-[(E)-but-2-enoyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 23600392
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999171
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 53110497
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673
3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 119169544

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide (CID 23600304) is 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide is COc1ccccc1CNC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is CGKYGDHGJIAZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c1-33-24-14-8-5-9-20(24)19-29-26(32)27(21-10-3-2-4-11-21)15-17-30(18-16-27)25(31)22-12-6-7-13-23(22)28/h2-14H,15-19H2,1H3,(H,29,32).
What are the key properties of 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 23600304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).