5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one

C20H20ClN3O2 — CID 53160576

IUPAC5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C20H20ClN3O2/c1-22-18-7-2-14(12-15(18)13-19(22)25)20(26)24-10-8-23(9-11-24)17-5-3-16(21)4-6-17/h2-7,12H,8-11,13H2,1H3
InChIKeyWNVQDWHTKSBANX-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.82
Rot. Bonds2

About 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one

5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one (PubChem CID 53160576) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one
PubChem CID53160576
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C20H20ClN3O2/c1-22-18-7-2-14(12-15(18)13-19(22)25)20(26)24-10-8-23(9-11-24)17-5-3-16(21)4-6-17/h2-7,12H,8-11,13H2,1H3
InChIKeyWNVQDWHTKSBANX-UHFFFAOYSA-N
XLogP2.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
CID 110804490
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813511
1-methyl-5-(4-pentanoyl-1,4-diazepane-1-carbonyl)-3H-indol-2-one
CID 110806698
6-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110640755
6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467626
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
CID 110383921
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one (CID 53160576) is 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one?
The InChIKey is WNVQDWHTKSBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-22-18-7-2-14(12-15(18)13-19(22)25)20(26)24-10-8-23(9-11-24)17-5-3-16(21)4-6-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one?
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one has a molecular weight of 369.85 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 53160576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).