(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

C20H25ClN4O2 — CID 110087409

IUPAC(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCn2nccc2C)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN4O2/c1-3-24-18(26)8-7-17(19(24)15-5-4-6-16(21)13-15)20(27)22-11-12-25-14(2)9-10-23-25/h4-6,9-10,13,17,19H,3,7-8,11-12H2,1-2H3,(H,22,27)/t17-,19+/m1/s1
InChIKeyRISQDNRIGJKJMU-MJGOQNOKSA-N
MW388.90 g/mol
LogP2.96
Rot. Bonds6

About (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 110087409) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID110087409
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCn2nccc2C)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN4O2/c1-3-24-18(26)8-7-17(19(24)15-5-4-6-16(21)13-15)20(27)22-11-12-25-14(2)9-10-23-25/h4-6,9-10,13,17,19H,3,7-8,11-12H2,1-2H3,(H,22,27)/t17-,19+/m1/s1
InChIKeyRISQDNRIGJKJMU-MJGOQNOKSA-N
XLogP2.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.96
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-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 110087409) is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCCn2nccc2C)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RISQDNRIGJKJMU-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-3-24-18(26)8-7-17(19(24)15-5-4-6-16(21)13-15)20(27)22-11-12-25-14(2)9-10-23-25/h4-6,9-10,13,17,19H,3,7-8,11-12H2,1-2H3,(H,22,27)/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.96, 6 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-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).