N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C20H26F2N2O2 — CID 109150123

IUPACN-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)C1
InChIInChI=1S/C20H26F2N2O2/c1-13-4-3-11-24(12-13)20(26)15-9-7-14(8-10-15)19(25)23-18-16(21)5-2-6-17(18)22/h2,5-6,13-15H,3-4,7-12H2,1H3,(H,23,25)
InChIKeyNDVQVNNQKWSDLT-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.97
Rot. Bonds3

About N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109150123) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109150123
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)C1
InChIInChI=1S/C20H26F2N2O2/c1-13-4-3-11-24(12-13)20(26)15-9-7-14(8-10-15)19(25)23-18-16(21)5-2-6-17(18)22/h2,5-6,13-15H,3-4,7-12H2,1H3,(H,23,25)
InChIKeyNDVQVNNQKWSDLT-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743
4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150120
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109150123) is N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CCCN(C(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is NDVQVNNQKWSDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-13-4-3-11-24(12-13)20(26)15-9-7-14(8-10-15)19(25)23-18-16(21)5-2-6-17(18)22/h2,5-6,13-15H,3-4,7-12H2,1H3,(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).