2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide

C22H26N4O2 — CID 22014900

IUPAC2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
SMILESCN1CCN(CCOc2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-25-9-11-26(12-10-25)13-14-28-18-7-5-16(6-8-18)20-15-17-3-2-4-19(22(23)27)21(17)24-20/h2-8,15,24H,9-14H2,1H3,(H2,23,27)
InChIKeyUMQNHHAVPCHWJW-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.56
Rot. Bonds6

About 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide

2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide (PubChem CID 22014900) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
PubChem CID22014900
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
SMILESCN1CCN(CCOc2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-25-9-11-26(12-10-25)13-14-28-18-7-5-16(6-8-18)20-15-17-3-2-4-19(22(23)27)21(17)24-20/h2-8,15,24H,9-14H2,1H3,(H2,23,27)
InChIKeyUMQNHHAVPCHWJW-UHFFFAOYSA-N
XLogP2.56
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
CID 22014911
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
7-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-phenyl-2H-isoquinolin-1-one
CID 141281104
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
CID 171343955
4-[2-(4-acetylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 43290386
3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one
CID 167859961
[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371146
1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408499
2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
CID 10221992
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
CID 82891639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide (CID 22014900) is 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide is CN1CCN(CCOc2ccc(-c3cc4cccc(C(N)=O)c4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
The InChIKey is UMQNHHAVPCHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-9-11-26(12-10-25)13-14-28-18-7-5-16(6-8-18)20-15-17-3-2-4-19(22(23)27)21(17)24-20/h2-8,15,24H,9-14H2,1H3,(H2,23,27).
What are the key properties of 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide?
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 22014900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).