5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide

C18H22N4O2 — CID 146130844

IUPAC5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)nn1C
InChIInChI=1S/C18H22N4O2/c1-3-13-11-15(21-22(13)2)18(24)19-14-9-10-16(23)20-17(14)12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3,(H,19,24)(H,20,23)/t14-,17+/m1/s1
InChIKeyVZCTXYWBXUZRGP-PBHICJAKSA-N
MW326.40 g/mol
LogP1.73
Rot. Bonds4

About 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide

5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 146130844) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
PubChem CID146130844
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)nn1C
InChIInChI=1S/C18H22N4O2/c1-3-13-11-15(21-22(13)2)18(24)19-14-9-10-16(23)20-17(14)12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3,(H,19,24)(H,20,23)/t14-,17+/m1/s1
InChIKeyVZCTXYWBXUZRGP-PBHICJAKSA-N
XLogP1.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide (CID 146130844) is 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide is CCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)nn1C.
What is the InChIKey of 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is VZCTXYWBXUZRGP-PBHICJAKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-13-11-15(21-22(13)2)18(24)19-14-9-10-16(23)20-17(14)12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3,(H,19,24)(H,20,23)/t14-,17+/m1/s1.
What are the key properties of 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide?
5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 146130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).