4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C22H25N5O2 — CID 155953115

IUPAC4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CC(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)CC2=O)cn1
InChIInChI=1S/C22H25N5O2/c1-25-14-18(12-23-25)27-13-17(11-21(27)28)22(29)26-8-6-15(7-9-26)20-10-16-4-2-3-5-19(16)24-20/h2-5,10,12,14-15,17,24H,6-9,11,13H2,1H3
InChIKeyKQAGBASWMZENPO-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.66
Rot. Bonds3

About 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 155953115) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID155953115
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CC(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)CC2=O)cn1
InChIInChI=1S/C22H25N5O2/c1-25-14-18(12-23-25)27-13-17(11-21(27)28)22(29)26-8-6-15(7-9-26)20-10-16-4-2-3-5-19(16)24-20/h2-5,10,12,14-15,17,24H,6-9,11,13H2,1H3
InChIKeyKQAGBASWMZENPO-UHFFFAOYSA-N
XLogP2.66
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one with MolForge

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Related Compounds

1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809864
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
CID 136563655
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56821439
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 155953115) is 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2CC(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)CC2=O)cn1.
What is the InChIKey of 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is KQAGBASWMZENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25-14-18(12-23-25)27-13-17(11-21(27)28)22(29)26-8-6-15(7-9-26)20-10-16-4-2-3-5-19(16)24-20/h2-5,10,12,14-15,17,24H,6-9,11,13H2,1H3.
What are the key properties of 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-2-yl)piperidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 155953115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).