4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile

C15H22N4OS — CID 103508622

IUPAC4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NCCN2CCCCC2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-2-12(20)14-13(17)11(10-16)15(21-14)18-6-9-19-7-4-3-5-8-19/h18H,2-9,17H2,1H3
InChIKeyUGQKZTPUSYGMBX-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.69
Rot. Bonds6

About 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile

4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile (PubChem CID 103508622) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
PubChem CID103508622
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NCCN2CCCCC2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-2-12(20)14-13(17)11(10-16)15(21-14)18-6-9-19-7-4-3-5-8-19/h18H,2-9,17H2,1H3
InChIKeyUGQKZTPUSYGMBX-UHFFFAOYSA-N
XLogP2.69
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
4-amino-5-propanoyl-2-(5,5,5-trifluoropentylamino)thiophene-3-carbonitrile
CID 103506050
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387
4-amino-5-propanoyl-2-(4-propan-2-yloxybutylamino)thiophene-3-carbonitrile
CID 106017458
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
4-amino-5-propanoyl-2-(4-propan-2-ylpiperazin-1-yl)thiophene-3-carbonitrile
CID 103509152

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile (CID 103508622) is 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile is CCC(=O)c1sc(NCCN2CCCCC2)c(C#N)c1N.
What is the InChIKey of 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile?
The InChIKey is UGQKZTPUSYGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-12(20)14-13(17)11(10-16)15(21-14)18-6-9-19-7-4-3-5-8-19/h18H,2-9,17H2,1H3.
What are the key properties of 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile?
4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile has a molecular weight of 306.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile is sourced from PubChem (CID 103508622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).