5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile

C17H19N3S — CID 79610426

IUPAC5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C17H19N3S/c18-11-14-10-15(21-13-14)12-19-16-6-2-3-7-17(16)20-8-4-1-5-9-20/h2-3,6-7,10,13,19H,1,4-5,8-9,12H2
InChIKeyWNSFQZYEEOPBRJ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.22
Rot. Bonds4

About 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile

5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile (PubChem CID 79610426) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile
PubChem CID79610426
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C17H19N3S/c18-11-14-10-15(21-13-14)12-19-16-6-2-3-7-17(16)20-8-4-1-5-9-20/h2-3,6-7,10,13,19H,1,4-5,8-9,12H2
InChIKeyWNSFQZYEEOPBRJ-UHFFFAOYSA-N
XLogP4.22
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
5-[(2-methylsulfanylanilino)methyl]thiophene-3-carbonitrile
CID 79614263
5-[(2-propan-2-ylanilino)methyl]thiophene-3-carbonitrile
CID 79605584
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79613833
2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 79614705
5-[(2-chloro-4-cyanoanilino)methyl]thiophene-3-carbonitrile
CID 114003380
5-[(4-bromo-2,3-dichloroanilino)methyl]thiophene-3-carbonitrile
CID 107787716
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
CID 30052168
2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
CID 66385103
5-[[2-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]thiophene-3-carbonitrile
CID 79611378
5-[(2,4,5-trifluoroanilino)methyl]thiophene-3-carbonitrile
CID 79614216
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376

Frequently Asked Questions

What is the IUPAC name of 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile (CID 79610426) is 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile?
The InChIKey is WNSFQZYEEOPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c18-11-14-10-15(21-13-14)12-19-16-6-2-3-7-17(16)20-8-4-1-5-9-20/h2-3,6-7,10,13,19H,1,4-5,8-9,12H2.
What are the key properties of 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile?
5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile has a molecular weight of 297.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79610426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).