1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H27F3N2O2 — CID 24816652

IUPAC1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H27F3N2O2/c22-21(23,24)18-10-6-5-7-15(18)13-25-20(28)16-11-12-19(27)26(14-16)17-8-3-1-2-4-9-17/h5-7,10,16-17H,1-4,8-9,11-14H2,(H,25,28)
InChIKeyGSQYCSWGMHFSBV-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.28
Rot. Bonds4

About 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24816652) has the molecular formula C21H27F3N2O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24816652
Molecular FormulaC21H27F3N2O2
Molecular Weight396.45 g/mol
Exact Mass396.20
IUPAC Name1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C21H27F3N2O2/c22-21(23,24)18-10-6-5-7-15(18)13-25-20(28)16-11-12-19(27)26(14-16)17-8-3-1-2-4-9-17/h5-7,10,16-17H,1-4,8-9,11-14H2,(H,25,28)
InChIKeyGSQYCSWGMHFSBV-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45185889
(3S)-1-cycloheptyl-N-(2-methoxy-2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 42286966
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 26323810
N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 45229982
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
(3R)-1-cycloheptyl-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-3-carboxamide
CID 136696816
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3R)-1-cyclopentyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95594183

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24816652) is 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GSQYCSWGMHFSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2/c22-21(23,24)18-10-6-5-7-15(18)13-25-20(28)16-11-12-19(27)26(14-16)17-8-3-1-2-4-9-17/h5-7,10,16-17H,1-4,8-9,11-14H2,(H,25,28).
What are the key properties of 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24816652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).