oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone

C16H28N2O2 — CID 167312068

IUPACoxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C16H28N2O2/c19-16(15-5-11-20-12-6-15)18-9-3-14(4-10-18)13-1-7-17-8-2-13/h13-15,17H,1-12H2
InChIKeyIDHQEFYNAHAJTC-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.65
Rot. Bonds2

About oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone

oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone (PubChem CID 167312068) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
PubChem CID167312068
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameoxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C16H28N2O2/c19-16(15-5-11-20-12-6-15)18-9-3-14(4-10-18)13-1-7-17-8-2-13/h13-15,17H,1-12H2
InChIKeyIDHQEFYNAHAJTC-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(oxan-4-yl)methanone
CID 102679573
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone (CID 167312068) is oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone is O=C(C1CCOCC1)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is IDHQEFYNAHAJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16(15-5-11-20-12-6-15)18-9-3-14(4-10-18)13-1-7-17-8-2-13/h13-15,17H,1-12H2.
What are the key properties of oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone?
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 167312068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).