1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C24H27N3O3 — CID 38494769

IUPAC1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C24H27N3O3/c1-24(2,18-7-5-4-6-8-18)23(29)27-13-11-26(12-14-27)22(28)21-15-17-9-10-19(30-3)16-20(17)25-21/h4-10,15-16,25H,11-14H2,1-3H3
InChIKeyOXKTWPXVEXNAPP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 38494769) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID38494769
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C24H27N3O3/c1-24(2,18-7-5-4-6-8-18)23(29)27-13-11-26(12-14-27)22(28)21-15-17-9-10-19(30-3)16-20(17)25-21/h4-10,15-16,25H,11-14H2,1-3H3
InChIKeyOXKTWPXVEXNAPP-UHFFFAOYSA-N
XLogP3.44
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one with MolForge

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 46445914
(6-methoxy-1H-indol-2-yl)-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 71797895
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46556266
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021805
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 38494769) is 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is COc1ccc2cc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is OXKTWPXVEXNAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-24(2,18-7-5-4-6-8-18)23(29)27-13-11-26(12-14-27)22(28)21-15-17-9-10-19(30-3)16-20(17)25-21/h4-10,15-16,25H,11-14H2,1-3H3.
What are the key properties of 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 405.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 38494769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).