1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C22H25FN2O3 — CID 46067504

IUPAC1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C2CC(C(=O)NCc3ccco3)CN(C(=O)C3CC3)C2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-14-9-16(6-7-20(14)23)17-10-18(13-25(12-17)22(27)15-4-5-15)21(26)24-11-19-3-2-8-28-19/h2-3,6-9,15,17-18H,4-5,10-13H2,1H3,(H,24,26)
InChIKeyCJNNBKPXSNAHQF-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.39
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 46067504) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID46067504
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C2CC(C(=O)NCc3ccco3)CN(C(=O)C3CC3)C2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-14-9-16(6-7-20(14)23)17-10-18(13-25(12-17)22(27)15-4-5-15)21(26)24-11-19-3-2-8-28-19/h2-3,6-9,15,17-18H,4-5,10-13H2,1H3,(H,24,26)
InChIKeyCJNNBKPXSNAHQF-UHFFFAOYSA-N
XLogP3.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
1-[4-[1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866451
(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 92994796
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 46065117
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 42865550
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92996611
(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996947
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
6-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878624

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 46067504) is 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(C2CC(C(=O)NCc3ccco3)CN(C(=O)C3CC3)C2)ccc1F.
What is the InChIKey of 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CJNNBKPXSNAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14-9-16(6-7-20(14)23)17-10-18(13-25(12-17)22(27)15-4-5-15)21(26)24-11-19-3-2-8-28-19/h2-3,6-9,15,17-18H,4-5,10-13H2,1H3,(H,24,26).
What are the key properties of 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46067504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).