N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide

C21H25BrN2O2S — CID 24516071

IUPACN-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCCc2ccc(Br)s2)CC1
InChIInChI=1S/C21H25BrN2O2S/c22-19-10-9-18(27-19)7-4-8-20(25)24-13-11-17(12-14-24)21(26)23-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,23,26)
InChIKeyKOIKCKRSVNOSEO-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.39
Rot. Bonds7

About N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide

N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide (PubChem CID 24516071) has the molecular formula C21H25BrN2O2S and a molecular weight of 449.41 g/mol. Its IUPAC name is N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
PubChem CID24516071
Molecular FormulaC21H25BrN2O2S
Molecular Weight449.41 g/mol
Exact Mass448.08
IUPAC NameN-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CCCc2ccc(Br)s2)CC1
InChIInChI=1S/C21H25BrN2O2S/c22-19-10-9-18(27-19)7-4-8-20(25)24-13-11-17(12-14-24)21(26)23-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,23,26)
InChIKeyKOIKCKRSVNOSEO-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
CID 135104743
4-(5-bromothiophen-2-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119625072
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
N-benzyl-1-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]piperidine-4-carboxamide
CID 38063702
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one
CID 119486898
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113004370
methyl (2R)-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-2-carboxylate
CID 79835990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide (CID 24516071) is N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)CCCc2ccc(Br)s2)CC1.
What is the InChIKey of N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide?
The InChIKey is KOIKCKRSVNOSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2S/c22-19-10-9-18(27-19)7-4-8-20(25)24-13-11-17(12-14-24)21(26)23-15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,23,26).
What are the key properties of N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide?
N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 24516071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).