5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide

C14H19BrN2OS — CID 106626893

IUPAC5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H19BrN2OS/c15-13-7-6-12(19-13)14(18)17(11-4-5-11)9-10-3-1-2-8-16-10/h6-7,10-11,16H,1-5,8-9H2
InChIKeyZHSBVZPRJXYBAM-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.26
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide

5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 106626893) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID106626893
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H19BrN2OS/c15-13-7-6-12(19-13)14(18)17(11-4-5-11)9-10-3-1-2-8-16-10/h6-7,10-11,16H,1-5,8-9H2
InChIKeyZHSBVZPRJXYBAM-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
N-cyclopropyl-N-(piperidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 106627038
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
CID 80659510
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106626847
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 104974015
N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
CID 107725344
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide (CID 106626893) is 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide is O=C(c1ccc(Br)s1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZHSBVZPRJXYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c15-13-7-6-12(19-13)14(18)17(11-4-5-11)9-10-3-1-2-8-16-10/h6-7,10-11,16H,1-5,8-9H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 343.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 106626893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).