4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile

C15H19N3O2S — CID 103418224

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCC(CO)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H19N3O2S/c16-6-11-12(17)14(13(20)10-3-4-10)21-15(11)18-5-1-2-9(7-18)8-19/h9-10,19H,1-5,7-8,17H2
InChIKeyKQSBEVRWEQNXJX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile

4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile (PubChem CID 103418224) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile
PubChem CID103418224
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCCC(CO)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H19N3O2S/c16-6-11-12(17)14(13(20)10-3-4-10)21-15(11)18-5-1-2-9(7-18)8-19/h9-10,19H,1-5,7-8,17H2
InChIKeyKQSBEVRWEQNXJX-UHFFFAOYSA-N
XLogP2.00
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103418253
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103421553
4-amino-5-(cyclopropanecarbonyl)-2-(1,4-oxazepan-4-yl)thiophene-3-carbonitrile
CID 103421751
methyl 3-amino-4-carbamoyl-5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carboxylate
CID 103418259
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583
4-amino-2-(3-methoxypyrrolidin-1-yl)-5-propanoylthiophene-3-carbonitrile
CID 103542428
3-amino-N-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophene-2-carboxamide
CID 103418251
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
methyl 3-amino-4-cyano-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507257
ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile (CID 103418224) is 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile is N#Cc1c(N2CCCC(CO)C2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile?
The InChIKey is KQSBEVRWEQNXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-6-11-12(17)14(13(20)10-3-4-10)21-15(11)18-5-1-2-9(7-18)8-19/h9-10,19H,1-5,7-8,17H2.
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile?
4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile has a molecular weight of 305.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-[3-(hydroxymethyl)piperidin-1-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 103418224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).