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

C25H37N5O2 — CID 69143133

IUPAC3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
SMILESCc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCN(C4CCN(C)CC4)CC3)C(C)C)ccc12
InChIInChI=1S/C25H37N5O2/c1-17(2)23(27-24(31)19-5-6-21-18(3)16-26-22(21)15-19)25(32)30-13-11-29(12-14-30)20-7-9-28(4)10-8-20/h5-6,15-17,20,23,26H,7-14H2,1-4H3,(H,27,31)/t23-/m1/s1
InChIKeyMRWPJJUVDZGHLO-HSZRJFAPSA-N
MW439.60 g/mol
LogP2.47
Rot. Bonds5

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

3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide (PubChem CID 69143133) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-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)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
PubChem CID69143133
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide
SMILESCc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCN(C4CCN(C)CC4)CC3)C(C)C)ccc12
InChIInChI=1S/C25H37N5O2/c1-17(2)23(27-24(31)19-5-6-21-18(3)16-26-22(21)15-19)25(32)30-13-11-29(12-14-30)20-7-9-28(4)10-8-20/h5-6,15-17,20,23,26H,7-14H2,1-4H3,(H,27,31)/t23-/m1/s1
InChIKeyMRWPJJUVDZGHLO-HSZRJFAPSA-N
XLogP2.47
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69416536
5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69142306
N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide
CID 91458970
N-[1-(4-cyclopentylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55584110
4-chloro-N-[(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942603
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
3-amino-4-methoxy-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 69142972
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
N-[1-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 85045795
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119636248
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-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)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide (CID 69143133) is 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-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)piperazin-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)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide is Cc1c[nH]c2cc(C(=O)N[C@@H](C(=O)N3CCN(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)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The InChIKey is MRWPJJUVDZGHLO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-17(2)23(27-24(31)19-5-6-21-18(3)16-26-22(21)15-19)25(32)30-13-11-29(12-14-30)20-7-9-28(4)10-8-20/h5-6,15-17,20,23,26H,7-14H2,1-4H3,(H,27,31)/t23-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 69143133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).