N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide

C22H26N4O2 — CID 16803741

IUPACN-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-3-24-16-18(17-8-4-5-9-19(17)24)23-22(27)26-14-12-25(13-15-26)20-10-6-7-11-21(20)28-2/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyGTDIPWHWWMLACO-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.02
Rot. Bonds4

About N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 16803741) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID16803741
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-3-24-16-18(17-8-4-5-9-19(17)24)23-22(27)26-14-12-25(13-15-26)20-10-6-7-11-21(20)28-2/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyGTDIPWHWWMLACO-UHFFFAOYSA-N
XLogP4.02
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 16803741) is N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is CCn1cc(NC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21.
What is the InChIKey of N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GTDIPWHWWMLACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-24-16-18(17-8-4-5-9-19(17)24)23-22(27)26-14-12-25(13-15-26)20-10-6-7-11-21(20)28-2/h4-11,16H,3,12-15H2,1-2H3,(H,23,27).
What are the key properties of N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindol-3-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 16803741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).