1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide

C25H38N4O2 — CID 112795503

IUPAC1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCCCN1CCN(C)CC1)c(C)n2C1CCCCC1
InChIInChI=1S/C25H38N4O2/c1-19-24(25(30)26-12-7-13-28-16-14-27(2)15-17-28)22-18-21(31-3)10-11-23(22)29(19)20-8-5-4-6-9-20/h10-11,18,20H,4-9,12-17H2,1-3H3,(H,26,30)
InChIKeyOHQUOSJGRTXFNJ-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.83
Rot. Bonds7

About 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide

1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide (PubChem CID 112795503) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
PubChem CID112795503
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCCCN1CCN(C)CC1)c(C)n2C1CCCCC1
InChIInChI=1S/C25H38N4O2/c1-19-24(25(30)26-12-7-13-28-16-14-27(2)15-17-28)22-18-21(31-3)10-11-23(22)29(19)20-8-5-4-6-9-20/h10-11,18,20H,4-9,12-17H2,1-3H3,(H,26,30)
InChIKeyOHQUOSJGRTXFNJ-UHFFFAOYSA-N
XLogP3.83
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
CID 112767949
1-cyclohexyl-5-methoxy-2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-3-carboxamide
CID 112815425
1-cyclohexyl-5-methoxy-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 112819708
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
CID 112827378
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
CID 112771381
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
CID 112842247
prop-2-ynyl (E)-4-[(1-cyclopentyl-5-methoxy-2-methylindole-3-carbonyl)amino]but-2-enoate
CID 118669171
1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
CID 112820584
1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide (CID 112795503) is 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCCCN1CCN(C)CC1)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide?
The InChIKey is OHQUOSJGRTXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2/c1-19-24(25(30)26-12-7-13-28-16-14-27(2)15-17-28)22-18-21(31-3)10-11-23(22)29(19)20-8-5-4-6-9-20/h10-11,18,20H,4-9,12-17H2,1-3H3,(H,26,30).
What are the key properties of 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide?
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide is sourced from PubChem (CID 112795503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).