4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide

C14H21N5OS — CID 103526437

IUPAC4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide
SMILESCN(C)CC1CCN(c2sc(C#N)c(N)c2C(N)=O)CC1
InChIInChI=1S/C14H21N5OS/c1-18(2)8-9-3-5-19(6-4-9)14-11(13(17)20)12(16)10(7-15)21-14/h9H,3-6,8,16H2,1-2H3,(H2,17,20)
InChIKeyDLJQVPHOFWWJJQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide

4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide (PubChem CID 103526437) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide
PubChem CID103526437
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide
SMILESCN(C)CC1CCN(c2sc(C#N)c(N)c2C(N)=O)CC1
InChIInChI=1S/C14H21N5OS/c1-18(2)8-9-3-5-19(6-4-9)14-11(13(17)20)12(16)10(7-15)21-14/h9H,3-6,8,16H2,1-2H3,(H2,17,20)
InChIKeyDLJQVPHOFWWJJQ-UHFFFAOYSA-N
XLogP1.08
TPSA99.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide
CID 103507608
4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
CID 103422590
4-amino-5-cyano-2-(4-hydroxy-4-methylazepan-1-yl)thiophene-3-carboxamide
CID 107409265
ethyl 4-amino-2-(azepan-1-yl)-5-cyanothiophene-3-carboxylate
CID 103419617
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228
ethyl 4-amino-5-cyano-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxylate
CID 103506248
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
methyl 4-amino-5-cyano-2-(4-methyl-1,4-diazepan-1-yl)thiophene-3-carboxylate
CID 103420612
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]thiophene-2,4-dicarbonitrile
CID 106840057
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide (CID 103526437) is 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide is CN(C)CC1CCN(c2sc(C#N)c(N)c2C(N)=O)CC1.
What is the InChIKey of 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide?
The InChIKey is DLJQVPHOFWWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-18(2)8-9-3-5-19(6-4-9)14-11(13(17)20)12(16)10(7-15)21-14/h9H,3-6,8,16H2,1-2H3,(H2,17,20).
What are the key properties of 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide?
4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 103526437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).