N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide

C25H29FN2O2 — CID 71955058

IUPACN-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCc1cc(C2CCC(C(=O)N(C)Cc3ccccc3)CN2C(=O)C2CC2)ccc1F
InChIInChI=1S/C25H29FN2O2/c1-17-14-20(10-12-22(17)26)23-13-11-21(16-28(23)25(30)19-8-9-19)24(29)27(2)15-18-6-4-3-5-7-18/h3-7,10,12,14,19,21,23H,8-9,11,13,15-16H2,1-2H3
InChIKeyKMRUOQBXKNYVCQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.48
Rot. Bonds5

About N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide

N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 71955058) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID71955058
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCc1cc(C2CCC(C(=O)N(C)Cc3ccccc3)CN2C(=O)C2CC2)ccc1F
InChIInChI=1S/C25H29FN2O2/c1-17-14-20(10-12-22(17)26)23-13-11-21(16-28(23)25(30)19-8-9-19)24(29)27(2)15-18-6-4-3-5-7-18/h3-7,10,12,14,19,21,23H,8-9,11,13,15-16H2,1-2H3
InChIKeyKMRUOQBXKNYVCQ-UHFFFAOYSA-N
XLogP4.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
(3S,5S)-1-acetyl-N-benzyl-5-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 92996817
cyclopropyl-[2-(4-fluoro-3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 71955059
3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849636
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
1-[4-[1-acetyl-6-(4-fluoro-3-methylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 42866441
(3S,6R)-N-benzyl-N-methyl-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 93000774
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 46067672
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide (CID 71955058) is N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide is Cc1cc(C2CCC(C(=O)N(C)Cc3ccccc3)CN2C(=O)C2CC2)ccc1F.
What is the InChIKey of N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is KMRUOQBXKNYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-17-14-20(10-12-22(17)26)23-13-11-21(16-28(23)25(30)19-8-9-19)24(29)27(2)15-18-6-4-3-5-7-18/h3-7,10,12,14,19,21,23H,8-9,11,13,15-16H2,1-2H3.
What are the key properties of N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide?
N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 71955058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).