1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one

C19H23N5O3 — CID 127360135

IUPAC1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCc1nc(C2CN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CCO2)n[nH]1
InChIInChI=1S/C19H23N5O3/c1-13-20-18(22-21-13)16-12-23(7-8-27-16)19(26)15-9-17(25)24(11-15)10-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,20,21,22)
InChIKeyPDNMTBZYHBXQQY-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.06
Rot. Bonds4

About 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one

1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 127360135) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID127360135
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCc1nc(C2CN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CCO2)n[nH]1
InChIInChI=1S/C19H23N5O3/c1-13-20-18(22-21-13)16-12-23(7-8-27-16)19(26)15-9-17(25)24(11-15)10-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,20,21,22)
InChIKeyPDNMTBZYHBXQQY-UHFFFAOYSA-N
XLogP1.06
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 96996747
(4S)-4-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 96511621
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95174415
2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 95779711
(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 97099734
1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 120997845
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 127360135) is 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one is Cc1nc(C2CN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CCO2)n[nH]1.
What is the InChIKey of 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is PDNMTBZYHBXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-20-18(22-21-13)16-12-23(7-8-27-16)19(26)15-9-17(25)24(11-15)10-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3,(H,20,21,22).
What are the key properties of 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one?
1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 127360135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).