4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

C23H30N4O3 — CID 52992575

IUPAC4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCC(Cn4nc(C)cc4C)CC3)CC2=O)c1
InChIInChI=1S/C23H30N4O3/c1-16-11-17(2)27(24-16)14-18-7-9-25(10-8-18)23(29)19-12-22(28)26(15-19)20-5-4-6-21(13-20)30-3/h4-6,11,13,18-19H,7-10,12,14-15H2,1-3H3
InChIKeyVLCBACHEZHODOT-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.80
Rot. Bonds5

About 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 52992575) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID52992575
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCC(Cn4nc(C)cc4C)CC3)CC2=O)c1
InChIInChI=1S/C23H30N4O3/c1-16-11-17(2)27(24-16)14-18-7-9-25(10-8-18)23(29)19-12-22(28)26(15-19)20-5-4-6-21(13-20)30-3/h4-6,11,13,18-19H,7-10,12,14-15H2,1-3H3
InChIKeyVLCBACHEZHODOT-UHFFFAOYSA-N
XLogP2.80
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 52992575) is 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CCC(Cn4nc(C)cc4C)CC3)CC2=O)c1.
What is the InChIKey of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VLCBACHEZHODOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-11-17(2)27(24-16)14-18-7-9-25(10-8-18)23(29)19-12-22(28)26(15-19)20-5-4-6-21(13-20)30-3/h4-6,11,13,18-19H,7-10,12,14-15H2,1-3H3.
What are the key properties of 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 410.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 52992575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).