(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone

C15H19N3O2 — CID 95432983

IUPAC(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone
SMILESCOc1cccc2c(C(=O)N3CCNCC3)cn(C)c12
InChIInChI=1S/C15H19N3O2/c1-17-10-12(15(19)18-8-6-16-7-9-18)11-4-3-5-13(20-2)14(11)17/h3-5,10,16H,6-9H2,1-2H3
InChIKeyVDUHHKBETFMXQP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.23
Rot. Bonds2

About (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone

(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone (PubChem CID 95432983) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone
PubChem CID95432983
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone
SMILESCOc1cccc2c(C(=O)N3CCNCC3)cn(C)c12
InChIInChI=1S/C15H19N3O2/c1-17-10-12(15(19)18-8-6-16-7-9-18)11-4-3-5-13(20-2)14(11)17/h3-5,10,16H,6-9H2,1-2H3
InChIKeyVDUHHKBETFMXQP-UHFFFAOYSA-N
XLogP1.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(7-methoxy-1-methylindol-3-yl)-3-oxopropanoate
CID 82666025
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
(E)-3-(7-methoxy-1-methylindol-3-yl)-4-methylpent-2-enoic acid
CID 82278744
3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 39354592
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 59016065
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone (CID 95432983) is (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone is COc1cccc2c(C(=O)N3CCNCC3)cn(C)c12.
What is the InChIKey of (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is VDUHHKBETFMXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-10-12(15(19)18-8-6-16-7-9-18)11-4-3-5-13(20-2)14(11)17/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone?
(7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-methylindol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 95432983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).