N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride

C25H38ClN5O2 — CID 69329575

IUPACN-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)c3ccc4cc[nH]c4c3)N(C)C)CC2)CC1.Cl
InChIInChI=1S/C25H37N5O2.ClH/c1-25(28(2)3,27-23(31)21-6-5-20-7-12-26-22(20)17-21)24(32)30-15-10-19(11-16-30)18-8-13-29(4)14-9-18;/h5-7,12,17-19,26H,8-11,13-16H2,1-4H3,(H,27,31);1H/t25-;/m0./s1
InChIKeyNBACBSYHKFAGDT-UQIIZPHYSA-N
MW476.07 g/mol
LogP3.18
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride

N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride (PubChem CID 69329575) has the molecular formula C25H38ClN5O2 and a molecular weight of 476.07 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
PubChem CID69329575
Molecular FormulaC25H38ClN5O2
Molecular Weight476.07 g/mol
Exact Mass475.27
IUPAC NameN-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)c3ccc4cc[nH]c4c3)N(C)C)CC2)CC1.Cl
InChIInChI=1S/C25H37N5O2.ClH/c1-25(28(2)3,27-23(31)21-6-5-20-7-12-26-22(20)17-21)24(32)30-15-10-19(11-16-30)18-8-13-29(4)14-9-18;/h5-7,12,17-19,26H,8-11,13-16H2,1-4H3,(H,27,31);1H/t25-;/m0./s1
InChIKeyNBACBSYHKFAGDT-UQIIZPHYSA-N
XLogP3.18
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.07
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69416536
(3R)-3-(1H-indole-6-carbonylamino)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-oxobutanoic acid;hydrochloride
CID 21060600
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
4-methoxy-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]benzamide
CID 67550313
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide
CID 91458970
ethane;1H-indole-6-carboxylic acid
CID 142472960
N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-indole-6-carboxamide
CID 95302588
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride (CID 69329575) is N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride is CN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)c3ccc4cc[nH]c4c3)N(C)C)CC2)CC1.Cl.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
The InChIKey is NBACBSYHKFAGDT-UQIIZPHYSA-N. The full InChI is InChI=1S/C25H37N5O2.ClH/c1-25(28(2)3,27-23(31)21-6-5-20-7-12-26-22(20)17-21)24(32)30-15-10-19(11-16-30)18-8-13-29(4)14-9-18;/h5-7,12,17-19,26H,8-11,13-16H2,1-4H3,(H,27,31);1H/t25-;/m0./s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride?
N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride has a molecular weight of 476.07 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-6-carboxamide;hydrochloride is sourced from PubChem (CID 69329575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).