(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride

C21H32ClN3O3 — CID 154913355

IUPAC(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
SMILESCNCC1CCN(C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-15(2)24-18(25)14-27-20(19(24)17-7-5-4-6-8-17)21(26)23-11-9-16(10-12-23)13-22-3;/h4-8,15-16,19-20,22H,9-14H2,1-3H3;1H/t19-,20+;/m1./s1
InChIKeyNKSJXDIDCUFPOS-FDOHDBATSA-N
MW409.96 g/mol
LogP2.24
Rot. Bonds5

About (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride

(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride (PubChem CID 154913355) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride.

Molecular Properties

Compound Name(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
PubChem CID154913355
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride
SMILESCNCC1CCN(C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-15(2)24-18(25)14-27-20(19(24)17-7-5-4-6-8-17)21(26)23-11-9-16(10-12-23)13-22-3;/h4-8,15-16,19-20,22H,9-14H2,1-3H3;1H/t19-,20+;/m1./s1
InChIKeyNKSJXDIDCUFPOS-FDOHDBATSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride with MolForge

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Related Compounds

(5R,6S)-6-(4-methylpiperazine-1-carbonyl)-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134705709
(5R,6S)-6-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one
CID 134696637
(2S,3R)-N-tert-butyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134695849
(2S,3R)-N-(2-amino-2-oxoethyl)-N-methyl-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134707406
(2S,3R)-N-[1-(2-methylpropyl)cyclopropyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134697708
(2S,3R)-N-(2-morpholin-4-ylethyl)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134702501
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134709715
(2S,3R)-5-oxo-3-phenyl-4-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
CID 134696733
2,3-dihydro-1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545517
(2S,3R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134710294
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride?
The IUPAC name of (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride (CID 154913355) is (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride.
What is the SMILES notation for (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride?
The canonical SMILES for (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride is CNCC1CCN(C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)CC1.Cl.
What is the InChIKey of (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride?
The InChIKey is NKSJXDIDCUFPOS-FDOHDBATSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-15(2)24-18(25)14-27-20(19(24)17-7-5-4-6-8-17)21(26)23-11-9-16(10-12-23)13-22-3;/h4-8,15-16,19-20,22H,9-14H2,1-3H3;1H/t19-,20+;/m1./s1.
What are the key properties of (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride?
(5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[4-(methylaminomethyl)piperidine-1-carbonyl]-5-phenyl-4-propan-2-ylmorpholin-3-one;hydrochloride is sourced from PubChem (CID 154913355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).