1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide

C17H26N2O2 — CID 111335036

IUPAC1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-19-12-8-7-11-15(19)16(20)18-13-17(2,21)14-9-5-4-6-10-14/h4-6,9-10,15,21H,3,7-8,11-13H2,1-2H3,(H,18,20)
InChIKeyCQYVTZSLVRXUSA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.88
Rot. Bonds5

About 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide

1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide (PubChem CID 111335036) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
PubChem CID111335036
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-19-12-8-7-11-15(19)16(20)18-13-17(2,21)14-9-5-4-6-10-14/h4-6,9-10,15,21H,3,7-8,11-13H2,1-2H3,(H,18,20)
InChIKeyCQYVTZSLVRXUSA-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769502
(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
N-[2-hydroxy-2-(4-phenylphenyl)propyl]cyclohexanecarboxamide
CID 90497506
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
(2S)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 95776174
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide
CID 126770138
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
(2S)-1-[2-(N-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588954

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide (CID 111335036) is 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide is CCN1CCCCC1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide?
The InChIKey is CQYVTZSLVRXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19-12-8-7-11-15(19)16(20)18-13-17(2,21)14-9-5-4-6-10-14/h4-6,9-10,15,21H,3,7-8,11-13H2,1-2H3,(H,18,20).
What are the key properties of 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide?
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 111335036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).