N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide

C14H19N3OS — CID 94700336

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN1CCC(C#N)(N(C)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H19N3OS/c1-16-7-5-14(11-15,6-8-16)17(2)13(18)10-12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeySSDNUPSZVRWFOK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide

N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 94700336) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
PubChem CID94700336
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide
SMILESCN1CCC(C#N)(N(C)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C14H19N3OS/c1-16-7-5-14(11-15,6-8-16)17(2)13(18)10-12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeySSDNUPSZVRWFOK-UHFFFAOYSA-N
XLogP1.74
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(cyanomethyl)-2-thiophen-2-ylacetamide
CID 842500
N-butyl-N-ethyl-2-(2-thienyl)acetamide
CID 2166904
2-Thiopheneacetamide, N,N-dibutyl-
CID 532844
Cambridge id 7020648
CID 2924363
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone
CID 71995332
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493714
N,N-dipropyl-2-(2-thienyl)acetamide
CID 670016
N,N-diethyl-2-(2-thienyl)acetamide
CID 669955
1-(2-Thienylacetyl)-4-piperidinecarboxamide
CID 762561
N,N-bis(methylethyl)-2-(2-thienyl)acetamide
CID 803105
1-(2-Methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 2891465
1-(3-Methylpiperidyl)-2-(2-thienyl)ethan-1-one
CID 3133602

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide (CID 94700336) is N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide is CN1CCC(C#N)(N(C)C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is SSDNUPSZVRWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16-7-5-14(11-15,6-8-16)17(2)13(18)10-12-4-3-9-19-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 277.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 94700336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).