(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide

C20H30N4O3 — CID 134707252

IUPAC(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1CCN(CC(C)(C)NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H30N4O3/c1-20(2,14-24-11-9-23(3)10-12-24)22-19(26)18-17(21-16(25)13-27-18)15-7-5-4-6-8-15/h4-8,17-18H,9-14H2,1-3H3,(H,21,25)(H,22,26)/t17-,18+/m1/s1
InChIKeyWQRUAQCBRDTLOV-MSOLQXFVSA-N
MW374.49 g/mol
LogP0.38
Rot. Bonds5

About (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134707252) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134707252
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1CCN(CC(C)(C)NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H30N4O3/c1-20(2,14-24-11-9-23(3)10-12-24)22-19(26)18-17(21-16(25)13-27-18)15-7-5-4-6-8-15/h4-8,17-18H,9-14H2,1-3H3,(H,21,25)(H,22,26)/t17-,18+/m1/s1
InChIKeyWQRUAQCBRDTLOV-MSOLQXFVSA-N
XLogP0.38
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422
(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713077
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
(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
(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134696775
acetic acid;(2S,3R)-N-(4-aminobutyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 154918670
(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 162634624
(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134701145
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(2R,3R)-N-(4-methylsulfonylphenyl)sulfonyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 110166834
(2S,3R)-N-[2-methyl-2-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134701114

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134707252) is (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide is CN1CCN(CC(C)(C)NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is WQRUAQCBRDTLOV-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-20(2,14-24-11-9-23(3)10-12-24)22-19(26)18-17(21-16(25)13-27-18)15-7-5-4-6-8-15/h4-8,17-18H,9-14H2,1-3H3,(H,21,25)(H,22,26)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134707252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).