2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

C20H26N4O3 — CID 55451765

IUPAC2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C20H26N4O3/c1-3-7-21-19(26)14-22-9-11-23(12-10-22)20(27)17-4-5-18-16(13-17)6-8-24(18)15(2)25/h3-5,13H,1,6-12,14H2,2H3,(H,21,26)
InChIKeyGIWGDVRDELXNSK-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.66
Rot. Bonds5

About 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55451765) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55451765
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C20H26N4O3/c1-3-7-21-19(26)14-22-9-11-23(12-10-22)20(27)17-4-5-18-16(13-17)6-8-24(18)15(2)25/h3-5,13H,1,6-12,14H2,2H3,(H,21,26)
InChIKeyGIWGDVRDELXNSK-UHFFFAOYSA-N
XLogP0.66
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642612
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46662988
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 39441168
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
tert-butyl N-[[1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidin-4-yl]methyl]carbamate
CID 52819846
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 75514465
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 55451765) is 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CC1.
What is the InChIKey of 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is GIWGDVRDELXNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-7-21-19(26)14-22-9-11-23(12-10-22)20(27)17-4-5-18-16(13-17)6-8-24(18)15(2)25/h3-5,13H,1,6-12,14H2,2H3,(H,21,26).
What are the key properties of 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 370.45 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).