(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide

C20H27ClN2O3 — CID 175656743

IUPAC(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCC2CCOCC2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H27ClN2O3/c1-2-23-18(24)7-6-17(19(23)15-4-3-5-16(21)12-15)20(25)22-13-14-8-10-26-11-9-14/h3-5,12,14,17,19H,2,6-11,13H2,1H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyLOYWIUCZEPRVMT-MJGOQNOKSA-N
MW378.90 g/mol
LogP3.18
Rot. Bonds5

About (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 175656743) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID175656743
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCC2CCOCC2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H27ClN2O3/c1-2-23-18(24)7-6-17(19(23)15-4-3-5-16(21)12-15)20(25)22-13-14-8-10-26-11-9-14/h3-5,12,14,17,19H,2,6-11,13H2,1H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyLOYWIUCZEPRVMT-MJGOQNOKSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 175656743) is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCC2CCOCC2)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LOYWIUCZEPRVMT-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-2-23-18(24)7-6-17(19(23)15-4-3-5-16(21)12-15)20(25)22-13-14-8-10-26-11-9-14/h3-5,12,14,17,19H,2,6-11,13H2,1H3,(H,22,25)/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 175656743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).