1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide

C18H22N4O4 — CID 110086604

IUPAC1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)=O
InChIInChI=1S/C18H22N4O4/c1-11(23)22-8-7-21(10-15(22)17(24)19-2)18(25)14-9-12-13(20-14)5-4-6-16(12)26-3/h4-6,9,15,20H,7-8,10H2,1-3H3,(H,19,24)
InChIKeyUKOKYHBTFXBUJD-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.60
Rot. Bonds3

About 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide

1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide (PubChem CID 110086604) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
PubChem CID110086604
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)=O
InChIInChI=1S/C18H22N4O4/c1-11(23)22-8-7-21(10-15(22)17(24)19-2)18(25)14-9-12-13(20-14)5-4-6-16(12)26-3/h4-6,9,15,20H,7-8,10H2,1-3H3,(H,19,24)
InChIKeyUKOKYHBTFXBUJD-UHFFFAOYSA-N
XLogP0.60
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide 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

(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 167229521
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(2S)-1-acetyl-4-(5-fluoro-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125014734
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
methyl (2S)-2-[[(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163810900
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909473
(1R,2S,5S)-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171530353
(2S)-4-tert-butyl-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 170025104
(4S)-4-tert-butyl-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166893768

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide (CID 110086604) is 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cc3c(OC)cccc3[nH]2)CCN1C(C)=O.
What is the InChIKey of 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is UKOKYHBTFXBUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11(23)22-8-7-21(10-15(22)17(24)19-2)18(25)14-9-12-13(20-14)5-4-6-16(12)26-3/h4-6,9,15,20H,7-8,10H2,1-3H3,(H,19,24).
What are the key properties of 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 110086604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).