N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride

C16H24ClN3O3S — CID 120554270

IUPACN-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-10-17-7-5-14(11)18-16(20)13-3-4-15-12(9-13)6-8-19(15)23(2,21)22;/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H,18,20);1H
InChIKeyXYLWBLXWRVQZMN-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.16
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride

N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride (PubChem CID 120554270) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
PubChem CID120554270
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-10-17-7-5-14(11)18-16(20)13-3-4-15-12(9-13)6-8-19(15)23(2,21)22;/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H,18,20);1H
InChIKeyXYLWBLXWRVQZMN-UHFFFAOYSA-N
XLogP1.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-piperidin-3-yl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119425799
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 120557717
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide
CID 119551449
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119601838
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623
1-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 8777525
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119601839
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride (CID 120554270) is N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
The InChIKey is XYLWBLXWRVQZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-11-10-17-7-5-14(11)18-16(20)13-3-4-15-12(9-13)6-8-19(15)23(2,21)22;/h3-4,9,11,14,17H,5-8,10H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120554270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).