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

C17H27Cl2N3O2 — CID 120941940

IUPAC(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-16(18-9-11-22-13)17(21)19-14-6-5-10-20(12-14)15-7-3-2-4-8-15;;/h2-4,7-8,13-14,16,18H,5-6,9-12H2,1H3,(H,19,21);2*1H/t13-,14?,16+;;/m1../s1
InChIKeyJLOICVLTOGEIBF-CCZRJZQSSA-N
MW376.33 g/mol
LogP1.99
Rot. Bonds3

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

(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 120941940) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
PubChem CID120941940
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-16(18-9-11-22-13)17(21)19-14-6-5-10-20(12-14)15-7-3-2-4-8-15;;/h2-4,7-8,13-14,16,18H,5-6,9-12H2,1H3,(H,19,21);2*1H/t13-,14?,16+;;/m1../s1
InChIKeyJLOICVLTOGEIBF-CCZRJZQSSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942745
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120932111
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249
(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 120936054
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
(1-phenylpiperidin-3-yl)urea
CID 121416777
(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937589
4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride (CID 120941940) is (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CCCN(c2ccccc2)C1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is JLOICVLTOGEIBF-CCZRJZQSSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c1-13-16(18-9-11-22-13)17(21)19-14-6-5-10-20(12-14)15-7-3-2-4-8-15;;/h2-4,7-8,13-14,16,18H,5-6,9-12H2,1H3,(H,19,21);2*1H/t13-,14?,16+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.99, 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-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120941940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).