1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one

C21H27N5O3 — CID 45188655

IUPAC1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(Cn2cc(C(=O)N3CCCC(CN4CCCC4=O)C3)nn2)cc1
InChIInChI=1S/C21H27N5O3/c1-29-18-8-6-16(7-9-18)14-26-15-19(22-23-26)21(28)25-11-2-4-17(13-25)12-24-10-3-5-20(24)27/h6-9,15,17H,2-5,10-14H2,1H3
InChIKeyCZMULDQGBYVPSL-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.81
Rot. Bonds6

About 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one

1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 45188655) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID45188655
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(Cn2cc(C(=O)N3CCCC(CN4CCCC4=O)C3)nn2)cc1
InChIInChI=1S/C21H27N5O3/c1-29-18-8-6-16(7-9-18)14-26-15-19(22-23-26)21(28)25-11-2-4-17(13-25)12-24-10-3-5-20(24)27/h6-9,15,17H,2-5,10-14H2,1H3
InChIKeyCZMULDQGBYVPSL-UHFFFAOYSA-N
XLogP1.81
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45176404
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
(3R)-1-[1-[(4-chlorophenyl)methyl]triazole-4-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 42288735
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
[(3R)-3-(4-chlorophenyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]triazol-4-yl]methanone
CID 25306511
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one (CID 45188655) is 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one is COc1ccc(Cn2cc(C(=O)N3CCCC(CN4CCCC4=O)C3)nn2)cc1.
What is the InChIKey of 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is CZMULDQGBYVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-29-18-8-6-16(7-9-18)14-26-15-19(22-23-26)21(28)25-11-2-4-17(13-25)12-24-10-3-5-20(24)27/h6-9,15,17H,2-5,10-14H2,1H3.
What are the key properties of 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 397.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-[(4-methoxyphenyl)methyl]triazole-4-carbonyl]piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45188655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).