N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C16H17BrN2O3S — CID 32822773

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H17BrN2O3S/c17-14-2-1-13(23-14)9-18-15(20)11-3-6-19(7-4-11)16(21)12-5-8-22-10-12/h1-2,5,8,10-11H,3-4,6-7,9H2,(H,18,20)
InChIKeyZYCJMFDUMYFWMR-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.27
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 32822773) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID32822773
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)s1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H17BrN2O3S/c17-14-2-1-13(23-14)9-18-15(20)11-3-6-19(7-4-11)16(21)12-5-8-22-10-12/h1-2,5,8,10-11H,3-4,6-7,9H2,(H,18,20)
InChIKeyZYCJMFDUMYFWMR-UHFFFAOYSA-N
XLogP3.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 47022910
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35711618
1-(furan-3-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445987
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 32822773) is N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(Br)s1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZYCJMFDUMYFWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c17-14-2-1-13(23-14)9-18-15(20)11-3-6-19(7-4-11)16(21)12-5-8-22-10-12/h1-2,5,8,10-11H,3-4,6-7,9H2,(H,18,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 397.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 32822773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).