1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C25H29FN2O4 — CID 42865379

IUPAC1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3F)CN(C(=O)C3CC3)C2)cc1OC
InChIInChI=1S/C25H29FN2O4/c1-31-22-10-9-17(12-23(22)32-2)19-11-20(15-28(14-19)25(30)16-7-8-16)24(29)27-13-18-5-3-4-6-21(18)26/h3-6,9-10,12,16,19-20H,7-8,11,13-15H2,1-2H3,(H,27,29)
InChIKeyXGZUEKZUHZLNMG-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.50
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 42865379) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID42865379
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3F)CN(C(=O)C3CC3)C2)cc1OC
InChIInChI=1S/C25H29FN2O4/c1-31-22-10-9-17(12-23(22)32-2)19-11-20(15-28(14-19)25(30)16-7-8-16)24(29)27-13-18-5-3-4-6-21(18)26/h3-6,9-10,12,16,19-20H,7-8,11,13-15H2,1-2H3,(H,27,29)
InChIKeyXGZUEKZUHZLNMG-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 46065117
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51552826

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 42865379) is 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccccc3F)CN(C(=O)C3CC3)C2)cc1OC.
What is the InChIKey of 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is XGZUEKZUHZLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c1-31-22-10-9-17(12-23(22)32-2)19-11-20(15-28(14-19)25(30)16-7-8-16)24(29)27-13-18-5-3-4-6-21(18)26/h3-6,9-10,12,16,19-20H,7-8,11,13-15H2,1-2H3,(H,27,29).
What are the key properties of 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42865379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).