4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

C20H27F3N2O2 — CID 86927593

IUPAC4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)16-7-4-8-17(13-16)24-19(26)25-11-9-18(10-12-25)27-14-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,24,26)
InChIKeyOJGBBNUTWBRBPT-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.50
Rot. Bonds4

About 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 86927593) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
PubChem CID86927593
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)16-7-4-8-17(13-16)24-19(26)25-11-9-18(10-12-25)27-14-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,24,26)
InChIKeyOJGBBNUTWBRBPT-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55922858
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
4-(2-amino-2-oxoethyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 94050688
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55590102
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
benzyl 4-(cyclopentylcarbamoyl)-1,4-diazepane-1-carboxylate
CID 110811707
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (CID 86927593) is 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is OJGBBNUTWBRBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c21-20(22,23)16-7-4-8-17(13-16)24-19(26)25-11-9-18(10-12-25)27-14-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,24,26).
What are the key properties of 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 86927593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).