N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

C16H26N4O3S — CID 86895490

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2cccn2)CC1)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H26N4O3S/c21-16(17-10-15-4-9-24(22,23)13-15)12-19-7-2-14(3-8-19)11-20-6-1-5-18-20/h1,5-6,14-15H,2-4,7-13H2,(H,17,21)
InChIKeyAMHMTTLTBJZVER-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.15
Rot. Bonds6

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 86895490) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID86895490
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2cccn2)CC1)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H26N4O3S/c21-16(17-10-15-4-9-24(22,23)13-15)12-19-7-2-14(3-8-19)11-20-6-1-5-18-20/h1,5-6,14-15H,2-4,7-13H2,(H,17,21)
InChIKeyAMHMTTLTBJZVER-UHFFFAOYSA-N
XLogP0.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

N-propyl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495298
N-propan-2-yl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495300
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
1-[2-[(1,1-dioxothiolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325127
N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495302
(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 94037886
N-(1,1-dioxothiolan-3-yl)-2-pyrazol-1-ylacetamide
CID 110689965
2-[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 86895360
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
N-(3-chloro-4-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495307
2-(benzotriazol-1-yl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006761
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 86895490) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is O=C(CN1CCC(Cn2cccn2)CC1)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is AMHMTTLTBJZVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c21-16(17-10-15-4-9-24(22,23)13-15)12-19-7-2-14(3-8-19)11-20-6-1-5-18-20/h1,5-6,14-15H,2-4,7-13H2,(H,17,21).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86895490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).