N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide

C18H23N3O3S — CID 122245618

IUPACN-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
SMILESO=C(NC1CCN(C2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O3S/c22-18(16-11-19-17-4-2-1-3-15(16)17)20-13-5-8-21(9-6-13)14-7-10-25(23,24)12-14/h1-4,11,13-14,19H,5-10,12H2,(H,20,22)
InChIKeyOOPVELNVYRMMGW-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide

N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide (PubChem CID 122245618) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
PubChem CID122245618
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
SMILESO=C(NC1CCN(C2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O3S/c22-18(16-11-19-17-4-2-1-3-15(16)17)20-13-5-8-21(9-6-13)14-7-10-25(23,24)12-14/h1-4,11,13-14,19H,5-10,12H2,(H,20,22)
InChIKeyOOPVELNVYRMMGW-UHFFFAOYSA-N
XLogP1.55
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
2-chloro-N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-fluorobenzamide
CID 129357673
2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid
CID 42652402
(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid
CID 29136000
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-(1,1-dioxothiolan-3-yl)-2-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 42652919
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
CID 129357405
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide (CID 122245618) is N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide is O=C(NC1CCN(C2CCS(=O)(=O)C2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide?
The InChIKey is OOPVELNVYRMMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-18(16-11-19-17-4-2-1-3-15(16)17)20-13-5-8-21(9-6-13)14-7-10-25(23,24)12-14/h1-4,11,13-14,19H,5-10,12H2,(H,20,22).
What are the key properties of N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide?
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 122245618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).