(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride

C17H24ClN3O3 — CID 120932993

IUPAC(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12-15(18-9-11-23-12)16(21)19-14-8-5-10-20(17(14)22)13-6-3-2-4-7-13;/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3,(H,19,21);1H/t12-,14?,15+;/m1./s1
InChIKeySCPHZINYTHUEDH-BGYHIHCLSA-N
MW353.85 g/mol
LogP1.10
Rot. Bonds3

About (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120932993) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID120932993
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12-15(18-9-11-23-12)16(21)19-14-8-5-10-20(17(14)22)13-6-3-2-4-7-13;/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3,(H,19,21);1H/t12-,14?,15+;/m1./s1
InChIKeySCPHZINYTHUEDH-BGYHIHCLSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120932111
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941940
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918838
(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120922098
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
(2R,3S)-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942745
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119787601
N-(2-oxo-1-phenylpiperidin-3-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119787611

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride (CID 120932993) is (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CCCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is SCPHZINYTHUEDH-BGYHIHCLSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-12-15(18-9-11-23-12)16(21)19-14-8-5-10-20(17(14)22)13-6-3-2-4-7-13;/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3,(H,19,21);1H/t12-,14?,15+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120932993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).