(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide

C18H25N3O3 — CID 120601731

IUPAC(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
SMILESCC1CC(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCN1
InChIInChI=1S/C18H25N3O3/c1-13-9-15(7-8-19-13)20-18(23)16-11-24-12-17(22)21(16)10-14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,23)/t13?,15?,16-/m1/s1
InChIKeyBZJPABAMGOWYFL-AVVWSFFYSA-N
MW331.42 g/mol
LogP0.67
Rot. Bonds4

About (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide

(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide (PubChem CID 120601731) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
PubChem CID120601731
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
SMILESCC1CC(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCN1
InChIInChI=1S/C18H25N3O3/c1-13-9-15(7-8-19-13)20-18(23)16-11-24-12-17(22)21(16)10-14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,23)/t13?,15?,16-/m1/s1
InChIKeyBZJPABAMGOWYFL-AVVWSFFYSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120577029
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97066023
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide (CID 120601731) is (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide is CC1CC(NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCN1.
What is the InChIKey of (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide?
The InChIKey is BZJPABAMGOWYFL-AVVWSFFYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-9-15(7-8-19-13)20-18(23)16-11-24-12-17(22)21(16)10-14-5-3-2-4-6-14/h2-6,13,15-16,19H,7-12H2,1H3,(H,20,23)/t13?,15?,16-/m1/s1.
What are the key properties of (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide?
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 120601731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).