[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone

C19H18BrN3O2 — CID 71799506

IUPAC[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C19H18BrN3O2/c20-16-2-1-8-22-18(16)25-15-6-10-23(11-7-15)19(24)14-3-4-17-13(12-14)5-9-21-17/h1-5,8-9,12,15,21H,6-7,10-11H2
InChIKeyUSTIAHVOLJBMHM-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.01
Rot. Bonds3

About [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone

[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 71799506) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID71799506
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C19H18BrN3O2/c20-16-2-1-8-22-18(16)25-15-6-10-23(11-7-15)19(24)14-3-4-17-13(12-14)5-9-21-17/h1-5,8-9,12,15,21H,6-7,10-11H2
InChIKeyUSTIAHVOLJBMHM-UHFFFAOYSA-N
XLogP4.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 71799430
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 129418013
1H-indol-5-yl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150506
2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 166105197
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]but-2-en-1-one
CID 91939329
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 71799449
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71798825
ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
CID 166104335

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone (CID 71799506) is [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ncccc2Br)CC1.
What is the InChIKey of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is USTIAHVOLJBMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-16-2-1-8-22-18(16)25-15-6-10-23(11-7-15)19(24)14-3-4-17-13(12-14)5-9-21-17/h1-5,8-9,12,15,21H,6-7,10-11H2.
What are the key properties of [4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone?
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 400.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 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]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 71799506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).