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

C25H37ClN4O2 — CID 69416536

IUPACN-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
SMILESCC(C)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C25H36N4O2.ClH/c1-17(2)23(27-24(30)21-5-4-20-6-11-26-22(20)16-21)25(31)29-14-9-19(10-15-29)18-7-12-28(3)13-8-18;/h4-6,11,16-19,23,26H,7-10,12-15H2,1-3H3,(H,27,30);1H/t23-;/m1./s1
InChIKeyFCLJUSDIYKXTNQ-GNAFDRTKSA-N
MW461.05 g/mol
LogP3.92
Rot. Bonds5

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

N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride (PubChem CID 69416536) has the molecular formula C25H37ClN4O2 and a molecular weight of 461.05 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
PubChem CID69416536
Molecular FormulaC25H37ClN4O2
Molecular Weight461.05 g/mol
Exact Mass460.26
IUPAC NameN-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
SMILESCC(C)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C25H36N4O2.ClH/c1-17(2)23(27-24(30)21-5-4-20-6-11-26-22(20)16-21)25(31)29-14-9-19(10-15-29)18-7-12-28(3)13-8-18;/h4-6,11,16-19,23,26H,7-10,12-15H2,1-3H3,(H,27,30);1H/t23-;/m1./s1
InChIKeyFCLJUSDIYKXTNQ-GNAFDRTKSA-N
XLogP3.92
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.05
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1H-indole-6-carbonylamino)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-oxobutanoic acid;hydrochloride
CID 21060600
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
3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 69142972
N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69329575
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-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-(oxan-4-yl)-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 21060590
N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide
CID 91458970
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride (CID 69416536) is N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride is CC(C)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCC(C2CCN(C)CC2)CC1.Cl.
What is the InChIKey of N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
The InChIKey is FCLJUSDIYKXTNQ-GNAFDRTKSA-N. The full InChI is InChI=1S/C25H36N4O2.ClH/c1-17(2)23(27-24(30)21-5-4-20-6-11-26-22(20)16-21)25(31)29-14-9-19(10-15-29)18-7-12-28(3)13-8-18;/h4-6,11,16-19,23,26H,7-10,12-15H2,1-3H3,(H,27,30);1H/t23-;/m1./s1.
What are the key properties of N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride has a molecular weight of 461.05 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride is sourced from PubChem (CID 69416536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).