6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide

C18H26N4O — CID 56823834

IUPAC6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCC(C)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C18H26N4O/c1-13-4-5-15-11-17(20-16(15)10-13)18(23)19-12-14(2)22-8-6-21(3)7-9-22/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H,19,23)
InChIKeyKHCANILYZIIECW-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.84
Rot. Bonds4

About 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide

6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 56823834) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
PubChem CID56823834
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCC(C)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C18H26N4O/c1-13-4-5-15-11-17(20-16(15)10-13)18(23)19-12-14(2)22-8-6-21(3)7-9-22/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H,19,23)
InChIKeyKHCANILYZIIECW-UHFFFAOYSA-N
XLogP1.84
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-methyl-1H-indole-2-carboxamide
CID 55559687
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 111695348
N-(2-hydroxy-2,3-dimethylbutyl)-6-methyl-1H-indole-2-carboxamide
CID 111484272
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 120670632
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
1-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 95327258
5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 39988576
1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
CID 136571788
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775
N-[(2S)-1-cyanopropan-2-yl]-6-methyl-1H-indole-2-carboxamide
CID 95297875

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide (CID 56823834) is 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCC(C)N3CCN(C)CC3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is KHCANILYZIIECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-4-5-15-11-17(20-16(15)10-13)18(23)19-12-14(2)22-8-6-21(3)7-9-22/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H,19,23).
What are the key properties of 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56823834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).