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

C24H35Cl2N5O2 — CID 69142306

IUPAC5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCC(C)[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1CCN(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C24H34ClN5O2.ClH/c1-16(2)22(27-23(31)21-15-17-14-18(25)4-5-20(17)26-21)24(32)30-12-10-29(11-13-30)19-6-8-28(3)9-7-19;/h4-5,14-16,19,22,26H,6-13H2,1-3H3,(H,27,31);1H/t22-;/m1./s1
InChIKeyZCHGEUBREQSBBR-VZYDHVRKSA-N
MW496.48 g/mol
LogP3.24
Rot. Bonds5

About 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride

5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 69142306) has the molecular formula C24H35Cl2N5O2 and a molecular weight of 496.48 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
PubChem CID69142306
Molecular FormulaC24H35Cl2N5O2
Molecular Weight496.48 g/mol
Exact Mass495.22
IUPAC Name5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCC(C)[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1CCN(C2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C24H34ClN5O2.ClH/c1-16(2)22(27-23(31)21-15-17-14-18(25)4-5-20(17)26-21)24(32)30-12-10-29(11-13-30)19-6-8-28(3)9-7-19;/h4-5,14-16,19,22,26H,6-13H2,1-3H3,(H,27,31);1H/t22-;/m1./s1
InChIKeyZCHGEUBREQSBBR-VZYDHVRKSA-N
XLogP3.24
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 23540223
(4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid;hydrochloride
CID 21060548
5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69329098
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 90885496
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 91398556
5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 129040061
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 50816910
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
4-chloro-N-[(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942603
5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
CID 176993914
5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69329693
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 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) is 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride is CC(C)[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N1CCN(C2CCN(C)CC2)CC1.Cl.
What is the InChIKey of 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is ZCHGEUBREQSBBR-VZYDHVRKSA-N. The full InChI is InChI=1S/C24H34ClN5O2.ClH/c1-16(2)22(27-23(31)21-15-17-14-18(25)4-5-20(17)26-21)24(32)30-12-10-29(11-13-30)19-6-8-28(3)9-7-19;/h4-5,14-16,19,22,26H,6-13H2,1-3H3,(H,27,31);1H/t22-;/m1./s1.
What are the key properties of 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 496.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 69142306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).