(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H21ClN4O3 — CID 110087607

IUPAC(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN4O3/c1-3-23-16(24)9-8-14(17(23)12-4-6-13(19)7-5-12)18(25)20-10-15-21-11(2)22-26-15/h4-7,14,17H,3,8-10H2,1-2H3,(H,20,25)/t14-,17+/m1/s1
InChIKeyYHWRUNLJESNPPJ-PBHICJAKSA-N
MW376.84 g/mol
LogP2.65
Rot. Bonds5

About (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 110087607) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID110087607
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN4O3/c1-3-23-16(24)9-8-14(17(23)12-4-6-13(19)7-5-12)18(25)20-10-15-21-11(2)22-26-15/h4-7,14,17H,3,8-10H2,1-2H3,(H,20,25)/t14-,17+/m1/s1
InChIKeyYHWRUNLJESNPPJ-PBHICJAKSA-N
XLogP2.65
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-2,2-diphenylacetamide
CID 2215563
1-[2-(4-chlorophenyl)ethyl]-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793323
1-(4-chlorobenzyl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793798
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-cyclopentyl-N-(propan-2-yl)propanamide
CID 2506246
N-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-((3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)propanamide
CID 8816715
2-Cyclohexyl-N-(2-{4-[3-(2,4-dichloro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide
CID 44336220
4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide
CID 47063304
N-[2-(4-Chlorophenyl)ethyl]-2-{methyl[1-(3-methyl-1,2,4-oxadiazol-5-YL)ethyl]amino}acetamide
CID 50953992
2-[(4-chlorophenyl)methyl-ethylamino]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 53598549
2-[(4-chlorophenyl)methyl-ethylamino]-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 53601597
({1-[2-(4-Chlorophenyl)ethyl]piperidin-3-yl}methyl)methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 72864965
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 171343338

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 110087607) is (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is YHWRUNLJESNPPJ-PBHICJAKSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-3-23-16(24)9-8-14(17(23)12-4-6-13(19)7-5-12)18(25)20-10-15-21-11(2)22-26-15/h4-7,14,17H,3,8-10H2,1-2H3,(H,20,25)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).