[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone

C24H20ClN3O2 — CID 46579208

IUPAC[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H20ClN3O2/c25-18-8-9-21-17(14-18)15-22(26-21)24(30)28-12-10-27(11-13-28)23(29)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,26H,10-13H2
InChIKeyMELVSCWKCPLXER-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.57
Rot. Bonds2

About [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 46579208) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID46579208
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C24H20ClN3O2/c25-18-8-9-21-17(14-18)15-22(26-21)24(30)28-12-10-27(11-13-28)23(29)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,26H,10-13H2
InChIKeyMELVSCWKCPLXER-UHFFFAOYSA-N
XLogP4.57
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
CID 131965590
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 53013265
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 172718678
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 46579208) is [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is MELVSCWKCPLXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-18-8-9-21-17(14-18)15-22(26-21)24(30)28-12-10-27(11-13-28)23(29)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,26H,10-13H2.
What are the key properties of [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 417.90 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 46579208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).