N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

C16H24N2O4S — CID 72887195

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C16H24N2O4S/c19-16(17-10-13-5-9-23(20,21)12-13)14-3-6-18(7-4-14)11-15-2-1-8-22-15/h1-2,8,13-14H,3-7,9-12H2,(H,17,19)
InChIKeyCEDKVWBCMBOLGZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.04
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide

N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 72887195) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID72887195
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C16H24N2O4S/c19-16(17-10-13-5-9-23(20,21)12-13)14-3-6-18(7-4-14)11-15-2-1-8-22-15/h1-2,8,13-14H,3-7,9-12H2,(H,17,19)
InChIKeyCEDKVWBCMBOLGZ-UHFFFAOYSA-N
XLogP1.04
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 51084236
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
1-(furan-2-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 72921894
1-(furan-2-ylmethyl)-N-(2-hydroxy-3-phenoxypropyl)piperidine-4-carboxamide
CID 72923240
4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53498467
1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72871524
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134702967
1-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)methyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 119139258

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 72887195) is N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCS(=O)(=O)C1)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is CEDKVWBCMBOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c19-16(17-10-13-5-9-23(20,21)12-13)14-3-6-18(7-4-14)11-15-2-1-8-22-15/h1-2,8,13-14H,3-7,9-12H2,(H,17,19).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72887195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).