N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide

C18H26N2O3S — CID 127393578

IUPACN-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(C(=O)C1CCS(=O)(=O)C1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O3S/c1-19(18(21)16-9-11-24(22,23)14-16)17-8-5-10-20(13-17)12-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeyMLRODWMSGXXSIA-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.54
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide

N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 127393578) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID127393578
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(C(=O)C1CCS(=O)(=O)C1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O3S/c1-19(18(21)16-9-11-24(22,23)14-16)17-8-5-10-20(13-17)12-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeyMLRODWMSGXXSIA-UHFFFAOYSA-N
XLogP1.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 127393578) is N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide is CN(C(=O)C1CCS(=O)(=O)C1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MLRODWMSGXXSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-19(18(21)16-9-11-24(22,23)14-16)17-8-5-10-20(13-17)12-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 127393578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).