5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride

C14H21BrClN3O2S — CID 119463754

IUPAC5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C14H20BrN3O2S.ClH/c1-9(18-14(20)11-4-5-12(15)21-11)13(19)17-8-10-3-2-6-16-7-10;/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyNZYGGJBUFOHMPD-UHFFFAOYSA-N
MW410.77 g/mol
LogP2.17
Rot. Bonds5

About 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride

5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119463754) has the molecular formula C14H21BrClN3O2S and a molecular weight of 410.77 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119463754
Molecular FormulaC14H21BrClN3O2S
Molecular Weight410.77 g/mol
Exact Mass409.02
IUPAC Name5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C14H20BrN3O2S.ClH/c1-9(18-14(20)11-4-5-12(15)21-11)13(19)17-8-10-3-2-6-16-7-10;/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyNZYGGJBUFOHMPD-UHFFFAOYSA-N
XLogP2.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.77
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119463754) is 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1ccc(Br)s1)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is NZYGGJBUFOHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S.ClH/c1-9(18-14(20)11-4-5-12(15)21-11)13(19)17-8-10-3-2-6-16-7-10;/h4-5,9-10,16H,2-3,6-8H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 410.77 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119463754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).