[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

C17H22BrN3O2 — CID 51152726

IUPAC[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(Br)c1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-15-10-14(11-19-12-15)17(23)21-8-4-13(5-9-21)16(22)20-6-2-1-3-7-20/h10-13H,1-9H2
InChIKeyXDDALGSJYWCQMI-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.71
Rot. Bonds2

About [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 51152726) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID51152726
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(Br)c1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H22BrN3O2/c18-15-10-14(11-19-12-15)17(23)21-8-4-13(5-9-21)16(22)20-6-2-1-3-7-20/h10-13H,1-9H2
InChIKeyXDDALGSJYWCQMI-UHFFFAOYSA-N
XLogP2.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-bromo-3-pyridinyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 55956730
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 51152726) is [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cncc(Br)c1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is XDDALGSJYWCQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c18-15-10-14(11-19-12-15)17(23)21-8-4-13(5-9-21)16(22)20-6-2-1-3-7-20/h10-13H,1-9H2.
What are the key properties of [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 380.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51152726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).