1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide

C29H33FN2O2 — CID 46069460

IUPAC1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC(c2cccc(C)c2)CN(Cc2ccccc2F)C1
InChIInChI=1S/C29H33FN2O2/c1-21-8-7-11-23(16-21)25-17-26(20-32(19-25)18-24-10-3-5-12-27(24)30)29(33)31-15-14-22-9-4-6-13-28(22)34-2/h3-13,16,25-26H,14-15,17-20H2,1-2H3,(H,31,33)
InChIKeyUSROVCQNBKJARQ-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.11
Rot. Bonds8

About 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 46069460) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID46069460
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC(c2cccc(C)c2)CN(Cc2ccccc2F)C1
InChIInChI=1S/C29H33FN2O2/c1-21-8-7-11-23(16-21)25-17-26(20-32(19-25)18-24-10-3-5-12-27(24)30)29(33)31-15-14-22-9-4-6-13-28(22)34-2/h3-13,16,25-26H,14-15,17-20H2,1-2H3,(H,31,33)
InChIKeyUSROVCQNBKJARQ-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996062
(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996048
(3R,5S)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996047
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996067
5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide
CID 42869827
1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870413
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide (CID 46069460) is 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CC(c2cccc(C)c2)CN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is USROVCQNBKJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-21-8-7-11-23(16-21)25-17-26(20-32(19-25)18-24-10-3-5-12-27(24)30)29(33)31-15-14-22-9-4-6-13-28(22)34-2/h3-13,16,25-26H,14-15,17-20H2,1-2H3,(H,31,33).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 460.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46069460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).