1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C22H23N3O3 — CID 53001326

IUPAC1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H23N3O3/c1-16-5-4-7-18(13-16)28-15-21(26)24-9-11-25(12-10-24)22(27)20-14-17-6-2-3-8-19(17)23-20/h2-8,13-14,23H,9-12,15H2,1H3
InChIKeyQQSJSLFDLHFZTB-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.84
Rot. Bonds4

About 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 53001326) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID53001326
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H23N3O3/c1-16-5-4-7-18(13-16)28-15-21(26)24-9-11-25(12-10-24)22(27)20-14-17-6-2-3-8-19(17)23-20/h2-8,13-14,23H,9-12,15H2,1H3
InChIKeyQQSJSLFDLHFZTB-UHFFFAOYSA-N
XLogP2.84
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072062
2-(1H-indol-3-yl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 55810440
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate
CID 2050328
2-[3-[1-(1H-indole-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399450
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 32531171
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
2-(3-methylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 53001326) is 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is QQSJSLFDLHFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-5-4-7-18(13-16)28-15-21(26)24-9-11-25(12-10-24)22(27)20-14-17-6-2-3-8-19(17)23-20/h2-8,13-14,23H,9-12,15H2,1H3.
What are the key properties of 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 377.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 53001326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).