N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O — CID 115736893

IUPACN-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCCCN1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)12-7-2-1-6-11(12)13(20)19-9-10-5-3-4-8-18-10/h10-12,18H,1-9H2,(H,19,20)
InChIKeyDDMBLWOYMNTYJC-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.61
Rot. Bonds3

About N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115736893) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115736893
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCCCN1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)12-7-2-1-6-11(12)13(20)19-9-10-5-3-4-8-18-10/h10-12,18H,1-9H2,(H,19,20)
InChIKeyDDMBLWOYMNTYJC-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114955797
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103309459
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106607311
N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81478379
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115736893) is N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1CCCCN1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DDMBLWOYMNTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c15-14(16,17)12-7-2-1-6-11(12)13(20)19-9-10-5-3-4-8-18-10/h10-12,18H,1-9H2,(H,19,20).
What are the key properties of N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115736893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).