N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide

C16H23N3O3S — CID 110729349

IUPACN-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN1CCc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C16H23N3O3S/c1-18-8-5-13-11-14(3-4-15(13)18)17-16(20)12-6-9-19(10-7-12)23(2,21)22/h3-4,11-12H,5-10H2,1-2H3,(H,17,20)
InChIKeyDKQYZWFBWLFOFO-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.29
Rot. Bonds3

About N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110729349) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110729349
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN1CCc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C16H23N3O3S/c1-18-8-5-13-11-14(3-4-15(13)18)17-16(20)12-6-9-19(10-7-12)23(2,21)22/h3-4,11-12H,5-10H2,1-2H3,(H,17,20)
InChIKeyDKQYZWFBWLFOFO-UHFFFAOYSA-N
XLogP1.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523463
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
CID 110837941
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 100799321
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729021
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
1-methylsulfonyl-N-pyrazolo[1,5-a]pyridin-5-ylpiperidine-4-carboxamide
CID 91629374

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 110729349) is N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide is CN1CCc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DKQYZWFBWLFOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-18-8-5-13-11-14(3-4-15(13)18)17-16(20)12-6-9-19(10-7-12)23(2,21)22/h3-4,11-12H,5-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110729349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).