(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone

C20H21N3O — CID 3403714

IUPAC(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1
InChIInChI=1S/C20H21N3O/c1-15-7-8-18-16(13-15)14-19(21-18)20(24)23-11-9-22(10-12-23)17-5-3-2-4-6-17/h2-8,13-14,21H,9-12H2,1H3
InChIKeyUKLIUGHEYSLPRT-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.44
Rot. Bonds2

About (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3403714) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID3403714
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1
InChIInChI=1S/C20H21N3O/c1-15-7-8-18-16(13-15)14-19(21-18)20(24)23-11-9-22(10-12-23)17-5-3-2-4-6-17/h2-8,13-14,21H,9-12H2,1H3
InChIKeyUKLIUGHEYSLPRT-UHFFFAOYSA-N
XLogP3.44
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 98741991
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 50958229
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 3403714) is (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1.
What is the InChIKey of (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is UKLIUGHEYSLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-7-8-18-16(13-15)14-19(21-18)20(24)23-11-9-22(10-12-23)17-5-3-2-4-6-17/h2-8,13-14,21H,9-12H2,1H3.
What are the key properties of (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3403714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).