1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

C26H35FN2O2 — CID 42870413

IUPAC1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCCc2ccccc2OC)CC(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C26H35FN2O2/c1-4-5-14-29-17-22(21-10-11-24(27)19(2)15-21)16-23(18-29)26(30)28-13-12-20-8-6-7-9-25(20)31-3/h6-11,15,22-23H,4-5,12-14,16-18H2,1-3H3,(H,28,30)
InChIKeyDHQCVWSRQROLFV-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.71
Rot. Bonds9

About 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 42870413) has the molecular formula C26H35FN2O2 and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID42870413
Molecular FormulaC26H35FN2O2
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC Name1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCCc2ccccc2OC)CC(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C26H35FN2O2/c1-4-5-14-29-17-22(21-10-11-24(27)19(2)15-21)16-23(18-29)26(30)28-13-12-20-8-6-7-9-25(20)31-3/h6-11,15,22-23H,4-5,12-14,16-18H2,1-3H3,(H,28,30)
InChIKeyDHQCVWSRQROLFV-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93000799
5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide
CID 42869827
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
1-[(2-chlorophenyl)methyl]-5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067702
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
(3S,5S)-5-(4-fluoro-3-methylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996949
(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92997182

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 42870413) is 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is CCCCN1CC(C(=O)NCCc2ccccc2OC)CC(c2ccc(F)c(C)c2)C1.
What is the InChIKey of 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is DHQCVWSRQROLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O2/c1-4-5-14-29-17-22(21-10-11-24(27)19(2)15-21)16-23(18-29)26(30)28-13-12-20-8-6-7-9-25(20)31-3/h6-11,15,22-23H,4-5,12-14,16-18H2,1-3H3,(H,28,30).
What are the key properties of 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 42870413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).