N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H21F3N2O — CID 104826195

IUPACN-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CNCC1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O/c1-8-6-17-7-11(8)18-12(19)9-3-2-4-10(5-9)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyGMOCQHSNIMEWHN-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.08
Rot. Bonds2

About N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104826195) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104826195
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CNCC1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O/c1-8-6-17-7-11(8)18-12(19)9-3-2-4-10(5-9)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyGMOCQHSNIMEWHN-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107585035
N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81470117
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106367196
N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696233
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 120946137
(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104826195) is N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC1CNCC1NC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is GMOCQHSNIMEWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8-6-17-7-11(8)18-12(19)9-3-2-4-10(5-9)13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104826195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).