5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile

C13H17N3OS — CID 115675572

IUPAC5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H17N3OS/c14-8-11-4-5-12(18-11)9-15-10-13(17)16-6-2-1-3-7-16/h4-5,15H,1-3,6-7,9-10H2
InChIKeyVVZSAKPKNPBWMY-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.72
Rot. Bonds4

About 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile

5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 115675572) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile
PubChem CID115675572
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC(=O)N2CCCCC2)s1
InChIInChI=1S/C13H17N3OS/c14-8-11-4-5-12(18-11)9-15-10-13(17)16-6-2-1-3-7-16/h4-5,15H,1-3,6-7,9-10H2
InChIKeyVVZSAKPKNPBWMY-UHFFFAOYSA-N
XLogP1.72
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromoprop-2-enylamino)methyl]thiophene-2-carbonitrile
CID 115675820
tert-butyl 2-[(5-cyanothiophen-2-yl)methylamino]acetate
CID 115978305
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675851
2-[(4,5-dibromothiophen-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 102837298
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 113250050
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 61206877
3-[(5-cyanothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 115675546
3-fluoro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzonitrile
CID 115748264
2-fluoro-5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzonitrile
CID 107880413
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596
1-pyrrolidin-1-yl-2-(1,3-thiazol-5-ylmethylamino)ethanone
CID 115732052
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile (CID 115675572) is 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCC(=O)N2CCCCC2)s1.
What is the InChIKey of 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is VVZSAKPKNPBWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-8-11-4-5-12(18-11)9-15-10-13(17)16-6-2-1-3-7-16/h4-5,15H,1-3,6-7,9-10H2.
What are the key properties of 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile?
5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 263.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).