N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide

C15H23BrN2OS — CID 119699596

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1ccc(Br)s1)C1CCNCC1
InChIInChI=1S/C15H23BrN2OS/c1-11(12-4-7-17-8-5-12)10-15(19)18-9-6-13-2-3-14(16)20-13/h2-3,11-12,17H,4-10H2,1H3,(H,18,19)
InChIKeyAVWKGNJHYHIKIN-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119699596) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119699596
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1ccc(Br)s1)C1CCNCC1
InChIInChI=1S/C15H23BrN2OS/c1-11(12-4-7-17-8-5-12)10-15(19)18-9-6-13-2-3-14(16)20-13/h2-3,11-12,17H,4-10H2,1H3,(H,18,19)
InChIKeyAVWKGNJHYHIKIN-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727881
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119891776
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119891775
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide (CID 119699596) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCc1ccc(Br)s1)C1CCNCC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is AVWKGNJHYHIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-11(12-4-7-17-8-5-12)10-15(19)18-9-6-13-2-3-14(16)20-13/h2-3,11-12,17H,4-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 359.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119699596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).