4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one

C23H25N5O2 — CID 166202662

IUPAC4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
SMILESCc1nc(C2CCCN(C(=O)C3CC(=O)N(c4cccc5ccccc45)C3)C2)n[nH]1
InChIInChI=1S/C23H25N5O2/c1-15-24-22(26-25-15)17-8-5-11-27(13-17)23(30)18-12-21(29)28(14-18)20-10-4-7-16-6-2-3-9-19(16)20/h2-4,6-7,9-10,17-18H,5,8,11-14H2,1H3,(H,24,25,26)
InChIKeyPSIFDWAXWNZRBB-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.03
Rot. Bonds3

About 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one

4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 166202662) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
PubChem CID166202662
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
SMILESCc1nc(C2CCCN(C(=O)C3CC(=O)N(c4cccc5ccccc45)C3)C2)n[nH]1
InChIInChI=1S/C23H25N5O2/c1-15-24-22(26-25-15)17-8-5-11-27(13-17)23(30)18-12-21(29)28(14-18)20-10-4-7-16-6-2-3-9-19(16)20/h2-4,6-7,9-10,17-18H,5,8,11-14H2,1H3,(H,24,25,26)
InChIKeyPSIFDWAXWNZRBB-UHFFFAOYSA-N
XLogP3.03
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 111694889
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119635548
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343
[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 166182466
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
ethyl 1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 47005232
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one (CID 166202662) is 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one is Cc1nc(C2CCCN(C(=O)C3CC(=O)N(c4cccc5ccccc45)C3)C2)n[nH]1.
What is the InChIKey of 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is PSIFDWAXWNZRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-24-22(26-25-15)17-8-5-11-27(13-17)23(30)18-12-21(29)28(14-18)20-10-4-7-16-6-2-3-9-19(16)20/h2-4,6-7,9-10,17-18H,5,8,11-14H2,1H3,(H,24,25,26).
What are the key properties of 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 403.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 166202662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).