[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone

C14H17BrN2O2 — CID 71799453

IUPAC[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C14H17BrN2O2/c15-12-2-1-7-16-13(12)19-11-5-8-17(9-6-11)14(18)10-3-4-10/h1-2,7,10-11H,3-6,8-9H2
InChIKeyUPZDPMQHZOJPCQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.62
Rot. Bonds3

About [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone

[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 71799453) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
PubChem CID71799453
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C14H17BrN2O2/c15-12-2-1-7-16-13(12)19-11-5-8-17(9-6-11)14(18)10-3-4-10/h1-2,7,10-11H,3-6,8-9H2
InChIKeyUPZDPMQHZOJPCQ-UHFFFAOYSA-N
XLogP2.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 71799430
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
1-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129418139
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 129418013
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 71799506
[1-[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 129417668
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449
4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799516

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone (CID 71799453) is [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(Oc2ncccc2Br)CC1.
What is the InChIKey of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is UPZDPMQHZOJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-12-2-1-7-16-13(12)19-11-5-8-17(9-6-11)14(18)10-3-4-10/h1-2,7,10-11H,3-6,8-9H2.
What are the key properties of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone?
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 325.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 71799453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).