N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide

C24H35N5O2S — CID 91458970

IUPACN-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C24H35N5O2S/c1-27-10-6-20(7-11-27)28-12-14-29(15-13-28)24(31)21(8-16-32-2)26-23(30)19-4-3-18-5-9-25-22(18)17-19/h3-5,9,17,20-21,25H,6-8,10-16H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyMXSQIEHPGQVYRS-NRFANRHFSA-N
MW457.64 g/mol
LogP2.26
Rot. Bonds7

About N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide

N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide (PubChem CID 91458970) has the molecular formula C24H35N5O2S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide
PubChem CID91458970
Molecular FormulaC24H35N5O2S
Molecular Weight457.64 g/mol
Exact Mass457.25
IUPAC NameN-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C24H35N5O2S/c1-27-10-6-20(7-11-27)28-12-14-29(15-13-28)24(31)21(8-16-32-2)26-23(30)19-4-3-18-5-9-25-22(18)17-19/h3-5,9,17,20-21,25H,6-8,10-16H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyMXSQIEHPGQVYRS-NRFANRHFSA-N
XLogP2.26
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide 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

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
(3R)-3-(1H-indole-6-carbonylamino)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-oxobutanoic acid;hydrochloride
CID 21060600
N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide;hydrochloride
CID 69416536
N-[1-(4-aminopiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119373540
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-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride
CID 22321771
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-[(2R)-1-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51926685
N-[1-[4-(acetamidomethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55746092
N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
CID 22321792
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119517457
N-[1-(4-aminopiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide;hydrochloride
CID 119373277

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide (CID 91458970) is N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide is CSCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
The InChIKey is MXSQIEHPGQVYRS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35N5O2S/c1-27-10-6-20(7-11-27)28-12-14-29(15-13-28)24(31)21(8-16-32-2)26-23(30)19-4-3-18-5-9-25-22(18)17-19/h3-5,9,17,20-21,25H,6-8,10-16H2,1-2H3,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide?
N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide has a molecular weight of 457.64 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 91458970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).