(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone

C13H17BrN2O2 — CID 62954265

IUPAC(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H17BrN2O2/c1-2-18-11-5-7-16(8-6-11)13(17)12-4-3-10(14)9-15-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyMRPLWDFMQACYJM-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.49
Rot. Bonds3

About (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone

(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 62954265) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID62954265
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H17BrN2O2/c1-2-18-11-5-7-16(8-6-11)13(17)12-4-3-10(14)9-15-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyMRPLWDFMQACYJM-UHFFFAOYSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643230
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364
(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62952392
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-(4-ethoxypiperidin-1-yl)methanone
CID 55976720
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 113460719
(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68626889

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone (CID 62954265) is (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is MRPLWDFMQACYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-2-18-11-5-7-16(8-6-11)13(17)12-4-3-10(14)9-15-12/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone?
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 313.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62954265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).