4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one

C24H21N3O2 — CID 175643089

IUPAC4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one
SMILESCn1ccc2cc(-c3ccc4cc(C(=O)N5CCNC(=O)C5)ccc4c3)ccc21
InChIInChI=1S/C24H21N3O2/c1-26-10-8-20-13-19(6-7-22(20)26)16-2-3-18-14-21(5-4-17(18)12-16)24(29)27-11-9-25-23(28)15-27/h2-8,10,12-14H,9,11,15H2,1H3,(H,25,28)
InChIKeySBAAVVJLNKWDJZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.57
Rot. Bonds2

About 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one

4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one (PubChem CID 175643089) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one
PubChem CID175643089
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one
SMILESCn1ccc2cc(-c3ccc4cc(C(=O)N5CCNC(=O)C5)ccc4c3)ccc21
InChIInChI=1S/C24H21N3O2/c1-26-10-8-20-13-19(6-7-22(20)26)16-2-3-18-14-21(5-4-17(18)12-16)24(29)27-11-9-25-23(28)15-27/h2-8,10,12-14H,9,11,15H2,1H3,(H,25,28)
InChIKeySBAAVVJLNKWDJZ-UHFFFAOYSA-N
XLogP3.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one
CID 172656930
7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
CID 166281669
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
CID 103706381
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
N-[6-(3-oxopiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide
CID 39342305

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one (CID 175643089) is 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one is Cn1ccc2cc(-c3ccc4cc(C(=O)N5CCNC(=O)C5)ccc4c3)ccc21.
What is the InChIKey of 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one?
The InChIKey is SBAAVVJLNKWDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-26-10-8-20-13-19(6-7-22(20)26)16-2-3-18-14-21(5-4-17(18)12-16)24(29)27-11-9-25-23(28)15-27/h2-8,10,12-14H,9,11,15H2,1H3,(H,25,28).
What are the key properties of 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one?
4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one has a molecular weight of 383.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 175643089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).