N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide

C18H25N3O5S — CID 113003339

IUPACN-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H25N3O5S/c1-26-10-2-7-19-18(23)13-5-8-21(9-6-13)27(24,25)15-3-4-16-14(11-15)12-17(22)20-16/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyGGHOSBPBECXCKH-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.73
Rot. Bonds7

About N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 113003339) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID113003339
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H25N3O5S/c1-26-10-2-7-19-18(23)13-5-8-21(9-6-13)27(24,25)15-3-4-16-14(11-15)12-17(22)20-16/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyGGHOSBPBECXCKH-UHFFFAOYSA-N
XLogP0.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557
N-(3-methoxypropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24686101
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110725492
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
N-(3-ethoxypropyl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 86988855
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 6499036
N-(3-piperidin-1-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27743802

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide (CID 113003339) is N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is GGHOSBPBECXCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-26-10-2-7-19-18(23)13-5-8-21(9-6-13)27(24,25)15-3-4-16-14(11-15)12-17(22)20-16/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 113003339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).