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

C19H22N4O3 — CID 90511875

IUPAC1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)CC1
InChIInChI=1S/C19H22N4O3/c1-13(24)21-6-8-22(9-7-21)18(25)14-11-23(12-14)19(26)16-10-20-17-5-3-2-4-15(16)17/h2-5,10,14,20H,6-9,11-12H2,1H3
InChIKeyZGCQZINVGKULRR-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.93
Rot. Bonds2

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

1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 90511875) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID90511875
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)CC1
InChIInChI=1S/C19H22N4O3/c1-13(24)21-6-8-22(9-7-21)18(25)14-11-23(12-14)19(26)16-10-20-17-5-3-2-4-15(16)17/h2-5,10,14,20H,6-9,11-12H2,1H3
InChIKeyZGCQZINVGKULRR-UHFFFAOYSA-N
XLogP0.93
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90511890
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone (CID 90511875) is 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)CC1.
What is the InChIKey of 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ZGCQZINVGKULRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)21-6-8-22(9-7-21)18(25)14-11-23(12-14)19(26)16-10-20-17-5-3-2-4-15(16)17/h2-5,10,14,20H,6-9,11-12H2,1H3.
What are the key properties of 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90511875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).