(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one

C19H28N4O3 — CID 134705602

IUPAC(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESCN(C)CCN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C19H28N4O3/c1-21(2)8-9-22-10-12-23(13-11-22)19(25)18-17(20-16(24)14-26-18)15-6-4-3-5-7-15/h3-7,17-18H,8-14H2,1-2H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyNQRCJGXYNDLGAG-MSOLQXFVSA-N
MW360.46 g/mol
LogP-0.05
Rot. Bonds5

About (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one

(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one (PubChem CID 134705602) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
PubChem CID134705602
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESCN(C)CCN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C19H28N4O3/c1-21(2)8-9-22-10-12-23(13-11-22)19(25)18-17(20-16(24)14-26-18)15-6-4-3-5-7-15/h3-7,17-18H,8-14H2,1-2H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyNQRCJGXYNDLGAG-MSOLQXFVSA-N
XLogP-0.05
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134698928
(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134703018
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134706916
(2S,3R)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713224
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422
(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134707252
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one (CID 134705602) is (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one is CN(C)CCN1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
The InChIKey is NQRCJGXYNDLGAG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21(2)8-9-22-10-12-23(13-11-22)19(25)18-17(20-16(24)14-26-18)15-6-4-3-5-7-15/h3-7,17-18H,8-14H2,1-2H3,(H,20,24)/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one has a molecular weight of 360.46 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one is sourced from PubChem (CID 134705602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).