N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

C15H19N3O3S — CID 95271014

IUPACN-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C15H19N3O3S/c16-9-11-4-8-22-14(11)17-13(19)10-18-5-2-1-3-12(18)15-20-6-7-21-15/h4,8,12,15H,1-3,5-7,10H2,(H,17,19)/t12-/m1/s1
InChIKeyGRDWCXYGQSPPAW-GFCCVEGCSA-N
MW321.40 g/mol
LogP1.79
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (PubChem CID 95271014) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
PubChem CID95271014
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C15H19N3O3S/c16-9-11-4-8-22-14(11)17-13(19)10-18-5-2-1-3-12(18)15-20-6-7-21-15/h4,8,12,15H,1-3,5-7,10H2,(H,17,19)/t12-/m1/s1
InChIKeyGRDWCXYGQSPPAW-GFCCVEGCSA-N
XLogP1.79
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95271015
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441838
5-[(2S)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343327
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81214186
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86976852
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569836
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (CID 95271014) is N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCCC[C@@H]1C1OCCO1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The InChIKey is GRDWCXYGQSPPAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-9-11-4-8-22-14(11)17-13(19)10-18-5-2-1-3-12(18)15-20-6-7-21-15/h4,8,12,15H,1-3,5-7,10H2,(H,17,19)/t12-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95271014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).