(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide

C18H25N3O3 — CID 124857097

IUPAC(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
SMILESCN1CCC[C@@H](NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-20-9-5-8-15(11-20)19-18(23)16-12-24-13-17(22)21(16)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t15-,16-/m1/s1
InChIKeyZJBHCBQLIZHLEX-HZPDHXFCSA-N
MW331.42 g/mol
LogP0.62
Rot. Bonds4

About (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide

(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide (PubChem CID 124857097) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
PubChem CID124857097
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
SMILESCN1CCC[C@@H](NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-20-9-5-8-15(11-20)19-18(23)16-12-24-13-17(22)21(16)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t15-,16-/m1/s1
InChIKeyZJBHCBQLIZHLEX-HZPDHXFCSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
CID 120601731
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120577029
(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
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
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
CID 97086193
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
CID 119411274

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide (CID 124857097) is (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide is CN1CCC[C@@H](NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C1.
What is the InChIKey of (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide?
The InChIKey is ZJBHCBQLIZHLEX-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20-9-5-8-15(11-20)19-18(23)16-12-24-13-17(22)21(16)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t15-,16-/m1/s1.
What are the key properties of (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide?
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 124857097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).