N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide

C14H21F5N2O — CID 176759497

IUPACN-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C14H21F5N2O/c15-13(16)3-1-10(2-4-13)9-21-11(22)12(14(17,18)19)5-7-20-8-6-12/h10,20H,1-9H2,(H,21,22)
InChIKeyCHKCTCJYEJGTMU-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.86
Rot. Bonds3

About N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide (PubChem CID 176759497) has the molecular formula C14H21F5N2O and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide
PubChem CID176759497
Molecular FormulaC14H21F5N2O
Molecular Weight328.33 g/mol
Exact Mass328.16
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C14H21F5N2O/c15-13(16)3-1-10(2-4-13)9-21-11(22)12(14(17,18)19)5-7-20-8-6-12/h10,20H,1-9H2,(H,21,22)
InChIKeyCHKCTCJYEJGTMU-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-[(4,4-difluorocyclohexyl)methyl]-N-methyl-4-(trifluoromethyl)piperidine-4-carboxamide
CID 176759241
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
2-[(4,4-difluorocyclohexyl)methylamino]ethylcarbamic acid
CID 139389099
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79082179
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide (CID 176759497) is N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide is O=C(NCC1CCC(F)(F)CC1)C1(C(F)(F)F)CCNCC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide?
The InChIKey is CHKCTCJYEJGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5N2O/c15-13(16)3-1-10(2-4-13)9-21-11(22)12(14(17,18)19)5-7-20-8-6-12/h10,20H,1-9H2,(H,21,22).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)piperidine-4-carboxamide is sourced from PubChem (CID 176759497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).