3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide

C18H25F3N2O2 — CID 136533677

IUPAC3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)NC(Cc2ccccc2)C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O2/c1-2-17(13-24)9-6-10-23(12-17)16(25)22-15(18(19,20)21)11-14-7-4-3-5-8-14/h3-5,7-8,15,24H,2,6,9-13H2,1H3,(H,22,25)
InChIKeySMBOPYAMIMNLMO-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.35
Rot. Bonds5

About 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide

3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide (PubChem CID 136533677) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
PubChem CID136533677
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide
SMILESCCC1(CO)CCCN(C(=O)NC(Cc2ccccc2)C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O2/c1-2-17(13-24)9-6-10-23(12-17)16(25)22-15(18(19,20)21)11-14-7-4-3-5-8-14/h3-5,7-8,15,24H,2,6,9-13H2,1H3,(H,22,25)
InChIKeySMBOPYAMIMNLMO-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide (CID 136533677) is 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide is CCC1(CO)CCCN(C(=O)NC(Cc2ccccc2)C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide?
The InChIKey is SMBOPYAMIMNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-2-17(13-24)9-6-10-23(12-17)16(25)22-15(18(19,20)21)11-14-7-4-3-5-8-14/h3-5,7-8,15,24H,2,6,9-13H2,1H3,(H,22,25).
What are the key properties of 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide?
3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(hydroxymethyl)-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136533677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).