4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

C16H27F3N2O2 — CID 75436538

IUPAC4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H27F3N2O2/c1-2-15(11-22)7-9-21(10-8-15)14(23)20-13-5-3-12(4-6-13)16(17,18)19/h12-13,22H,2-11H2,1H3,(H,20,23)
InChIKeyWXIMZRIPLMTLHX-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.30
Rot. Bonds3

About 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 75436538) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
PubChem CID75436538
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H27F3N2O2/c1-2-15(11-22)7-9-21(10-8-15)14(23)20-13-5-3-12(4-6-13)16(17,18)19/h12-13,22H,2-11H2,1H3,(H,20,23)
InChIKeyWXIMZRIPLMTLHX-UHFFFAOYSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 136518771
1-[4-(4-Hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 140900473
1-[4-Fluoro-3-(trifluoromethyl)cyclohexyl]-3-[4-(4-hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]urea
CID 140900479
1-[4-(4-Hydroxybutylamino)-6-methyl-1,3-diazinan-2-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 140900554
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
1-[(2S)-1-hydroxybutan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 86817460
4-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830985
4-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830986
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620919
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620922
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620923
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (CID 75436538) is 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is WXIMZRIPLMTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-2-15(11-22)7-9-21(10-8-15)14(23)20-13-5-3-12(4-6-13)16(17,18)19/h12-13,22H,2-11H2,1H3,(H,20,23).
What are the key properties of 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 75436538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).