4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide

C15H21N3O2S — CID 103419846

IUPAC4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
SMILESCNC(=O)c1c(N2CCCCC2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H21N3O2S/c1-17-14(20)10-11(16)13(12(19)9-5-6-9)21-15(10)18-7-3-2-4-8-18/h9H,2-8,16H2,1H3,(H,17,20)
InChIKeyHPLCEQVMRNEDHE-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.27
Rot. Bonds4

About 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide

4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide (PubChem CID 103419846) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
PubChem CID103419846
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
SMILESCNC(=O)c1c(N2CCCCC2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H21N3O2S/c1-17-14(20)10-11(16)13(12(19)9-5-6-9)21-15(10)18-7-3-2-4-8-18/h9H,2-8,16H2,1H3,(H,17,20)
InChIKeyHPLCEQVMRNEDHE-UHFFFAOYSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103419841
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
4-amino-N-methyl-2-(1,4-oxazepan-4-yl)-5-propanoylthiophene-3-carboxamide
CID 103421788
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
4-amino-2-(1,4-diazepan-1-yl)-N-methyl-5-propanoylthiophene-3-carboxamide
CID 103524842
3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
CID 103419370
methyl 3-amino-4-(methylcarbamoyl)-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419039
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide (CID 103419846) is 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide is CNC(=O)c1c(N2CCCCC2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide?
The InChIKey is HPLCEQVMRNEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-14(20)10-11(16)13(12(19)9-5-6-9)21-15(10)18-7-3-2-4-8-18/h9H,2-8,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide?
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 103419846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).