2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide

C14H20Br2N2OS — CID 107963808

IUPAC2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C14H20Br2N2OS/c1-2-6-18(9-10-4-3-5-17-8-10)14(19)11-7-12(15)20-13(11)16/h7,10,17H,2-6,8-9H2,1H3
InChIKeyNWNZELLIRZGCDV-UHFFFAOYSA-N
MW424.20 g/mol
LogP4.12
Rot. Bonds5

About 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide

2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide (PubChem CID 107963808) has the molecular formula C14H20Br2N2OS and a molecular weight of 424.20 g/mol. Its IUPAC name is 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
PubChem CID107963808
Molecular FormulaC14H20Br2N2OS
Molecular Weight424.20 g/mol
Exact Mass421.97
IUPAC Name2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
SMILESCCCN(CC1CCCNC1)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C14H20Br2N2OS/c1-2-6-18(9-10-4-3-5-17-8-10)14(19)11-7-12(15)20-13(11)16/h7,10,17H,2-6,8-9H2,1H3
InChIKeyNWNZELLIRZGCDV-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
CID 106628118
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide (CID 107963808) is 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide is CCCN(CC1CCCNC1)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide?
The InChIKey is NWNZELLIRZGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2OS/c1-2-6-18(9-10-4-3-5-17-8-10)14(19)11-7-12(15)20-13(11)16/h7,10,17H,2-6,8-9H2,1H3.
What are the key properties of 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide?
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide has a molecular weight of 424.20 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 107963808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).