(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C16H28ClN3O3 — CID 120937589

IUPAC(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CC(=O)N(C2CCCCC2)C1.Cl
InChIInChI=1S/C16H27N3O3.ClH/c1-11-15(17-7-8-22-11)16(21)18-12-9-14(20)19(10-12)13-5-3-2-4-6-13;/h11-13,15,17H,2-10H2,1H3,(H,18,21);1H/t11-,12?,15+;/m1./s1
InChIKeyZOGMAFMZOKRBKV-CGMVOXOVSA-N
MW345.87 g/mol
LogP0.83
Rot. Bonds3

About (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120937589) has the molecular formula C16H28ClN3O3 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120937589
Molecular FormulaC16H28ClN3O3
Molecular Weight345.87 g/mol
Exact Mass345.18
IUPAC Name(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CC(=O)N(C2CCCCC2)C1.Cl
InChIInChI=1S/C16H27N3O3.ClH/c1-11-15(17-7-8-22-11)16(21)18-12-9-14(20)19(10-12)13-5-3-2-4-6-13;/h11-13,15,17H,2-10H2,1H3,(H,18,21);1H/t11-,12?,15+;/m1./s1
InChIKeyZOGMAFMZOKRBKV-CGMVOXOVSA-N
XLogP0.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120930374
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide
CID 120930289
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
CID 120940415
(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
CID 120921594
(2R,3S)-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide
CID 120942818
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120937589) is (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CC(=O)N(C2CCCCC2)C1.Cl.
What is the InChIKey of (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is ZOGMAFMZOKRBKV-CGMVOXOVSA-N. The full InChI is InChI=1S/C16H27N3O3.ClH/c1-11-15(17-7-8-22-11)16(21)18-12-9-14(20)19(10-12)13-5-3-2-4-6-13;/h11-13,15,17H,2-10H2,1H3,(H,18,21);1H/t11-,12?,15+;/m1./s1.
What are the key properties of (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120937589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).