(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H23ClN4O2 — CID 110087513

IUPAC(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)C1c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-3-24-17(25)8-7-16(18(24)13-5-4-6-14(20)11-13)19(26)21-12-15-9-10-22-23(15)2/h4-6,9-11,16,18H,3,7-8,12H2,1-2H3,(H,21,26)/t16-,18?/m1/s1
InChIKeyFXOLJKHJFGLLBN-PYUWXLGESA-N
MW374.87 g/mol
LogP2.69
Rot. Bonds5

About (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 110087513) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID110087513
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)C1c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O2/c1-3-24-17(25)8-7-16(18(24)13-5-4-6-14(20)11-13)19(26)21-12-15-9-10-22-23(15)2/h4-6,9-11,16,18H,3,7-8,12H2,1-2H3,(H,21,26)/t16-,18?/m1/s1
InChIKeyFXOLJKHJFGLLBN-PYUWXLGESA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 110087513) is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCc2ccnn2C)C1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is FXOLJKHJFGLLBN-PYUWXLGESA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-3-24-17(25)8-7-16(18(24)13-5-4-6-14(20)11-13)19(26)21-12-15-9-10-22-23(15)2/h4-6,9-11,16,18H,3,7-8,12H2,1-2H3,(H,21,26)/t16-,18?/m1/s1.
What are the key properties of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).