4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C16H18BrN3O2S — CID 71799517

IUPAC4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C16H18BrN3O2S/c17-14-4-1-7-18-15(14)22-12-5-8-20(9-6-12)16(21)19-11-13-3-2-10-23-13/h1-4,7,10,12H,5-6,8-9,11H2,(H,19,21)
InChIKeyRVSFMLQLMRWYJP-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.66
Rot. Bonds4

About 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 71799517) has the molecular formula C16H18BrN3O2S and a molecular weight of 396.31 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID71799517
Molecular FormulaC16H18BrN3O2S
Molecular Weight396.31 g/mol
Exact Mass395.03
IUPAC Name4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C16H18BrN3O2S/c17-14-4-1-7-18-15(14)22-12-5-8-20(9-6-12)16(21)19-11-13-3-2-10-23-13/h1-4,7,10,12H,5-6,8-9,11H2,(H,19,21)
InChIKeyRVSFMLQLMRWYJP-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100612439
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-thiophen-2-ylethanone
CID 122249966
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799516
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 71799430
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 71799517) is 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccs1)N1CCC(Oc2ncccc2Br)CC1.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is RVSFMLQLMRWYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2S/c17-14-4-1-7-18-15(14)22-12-5-8-20(9-6-12)16(21)19-11-13-3-2-10-23-13/h1-4,7,10,12H,5-6,8-9,11H2,(H,19,21).
What are the key properties of 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 396.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71799517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).