[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C21H32N4O2 — CID 118771316

IUPAC[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H32N4O2/c26-21(18-4-9-24(10-5-18)20-6-15-27-16-7-20)25-13-11-23(12-14-25)17-19-3-1-2-8-22-19/h1-3,8,18,20H,4-7,9-17H2
InChIKeyOZHQKIZVHSANCJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.62
Rot. Bonds4

About [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 118771316) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID118771316
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H32N4O2/c26-21(18-4-9-24(10-5-18)20-6-15-27-16-7-20)25-13-11-23(12-14-25)17-19-3-1-2-8-22-19/h1-3,8,18,20H,4-7,9-17H2
InChIKeyOZHQKIZVHSANCJ-UHFFFAOYSA-N
XLogP1.62
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-Benzylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 4432869
(4-Pyridin-4-yl-piperazin-1-yl)-[6-(tetrahydro-pyran-4-yl)-6-aza-spiro[2.5]oct-1-yl]-methanone
CID 25118474
N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3151179
1'-[(2E)-4-methyl-2-pentenoyl]-N-(2-pyridinylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24816944
(4-Cyclohexylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 49864751
(4-Methylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 49864752
(4-Phenylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)piperidin-4-yl)methanone
CID 49865532
1'-(4-methylpentanoyl)-N-(2-pyridinylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24790745
(3-Methylpiperidin-1-yl)[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 3148926
1-(piperidin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3241570
1-(2-Methylpropyl)-8-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45162727
8-[(3-Methyl-2-pyridinyl)methyl]-2-(4-morpholin-4-ylphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 72204740

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 118771316) is [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is OZHQKIZVHSANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-21(18-4-9-24(10-5-18)20-6-15-27-16-7-20)25-13-11-23(12-14-25)17-19-3-1-2-8-22-19/h1-3,8,18,20H,4-7,9-17H2.
What are the key properties of [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 372.51 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118771316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).