(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

C19H22ClN3O2S — CID 110087575

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c1-2-23-17(24)8-7-14(18(23)13-5-3-4-6-15(13)20)19(25)22-10-9-16-21-11-12-26-16/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,22,25)/t14-,18+/m1/s1
InChIKeyZTXGRIOGEWLBSK-KDOFPFPSSA-N
MW391.92 g/mol
LogP3.45
Rot. Bonds6

About (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 110087575) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID110087575
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c1-2-23-17(24)8-7-14(18(23)13-5-3-4-6-15(13)20)19(25)22-10-9-16-21-11-12-26-16/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,22,25)/t14-,18+/m1/s1
InChIKeyZTXGRIOGEWLBSK-KDOFPFPSSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 110087575) is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCCc2nccs2)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZTXGRIOGEWLBSK-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-2-23-17(24)8-7-14(18(23)13-5-3-4-6-15(13)20)19(25)22-10-9-16-21-11-12-26-16/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,22,25)/t14-,18+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 110087575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).