3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide

C26H38N4O2 — CID 69143492

IUPAC3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
SMILESCc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCC(C4CCN(C)CC4)CC3)C(C)C)ccc12
InChIInChI=1S/C26H38N4O2/c1-17(2)24(28-25(31)21-5-6-22-18(3)16-27-23(22)15-21)26(32)30-13-9-20(10-14-30)19-7-11-29(4)12-8-19/h5-6,15-17,19-20,24,27H,7-14H2,1-4H3,(H,28,31)/t24-/m1/s1
InChIKeyJQUHJBOOYGASEQ-XMMPIXPASA-N
MW438.62 g/mol
LogP3.81
Rot. Bonds5

About 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide

3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide (PubChem CID 69143492) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
PubChem CID69143492
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
SMILESCc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCC(C4CCN(C)CC4)CC3)C(C)C)ccc12
InChIInChI=1S/C26H38N4O2/c1-17(2)24(28-25(31)21-5-6-22-18(3)16-27-23(22)15-21)26(32)30-13-9-20(10-14-30)19-7-11-29(4)12-8-19/h5-6,15-17,19-20,24,27H,7-14H2,1-4H3,(H,28,31)/t24-/m1/s1
InChIKeyJQUHJBOOYGASEQ-XMMPIXPASA-N
XLogP3.81
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
CID 69143133
N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69416536
3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 69142972
(3R)-3-(1H-indole-6-carbonylamino)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-oxobutanoic acid;hydrochloride
CID 21060600
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119636248
N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31611312
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820
4-methoxy-N-[3-methyl-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 60552904
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide (CID 69143492) is 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide is Cc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCC(C4CCN(C)CC4)CC3)C(C)C)ccc12.
What is the InChIKey of 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The InChIKey is JQUHJBOOYGASEQ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H38N4O2/c1-17(2)24(28-25(31)21-5-6-22-18(3)16-27-23(22)15-21)26(32)30-13-9-20(10-14-30)19-7-11-29(4)12-8-19/h5-6,15-17,19-20,24,27H,7-14H2,1-4H3,(H,28,31)/t24-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 69143492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).