[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C18H33N3O2 — CID 131944774

IUPAC[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCN(C3CCOCC3)CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15(2)19-7-3-16(4-8-19)18(22)21-11-9-20(10-12-21)17-5-13-23-14-6-17/h15-17H,3-14H2,1-2H3
InChIKeyUSVFDXLEOAHRNH-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.43
Rot. Bonds3

About [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 131944774) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID131944774
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCN(C3CCOCC3)CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-15(2)19-7-3-16(4-8-19)18(22)21-11-9-20(10-12-21)17-5-13-23-14-6-17/h15-17H,3-14H2,1-2H3
InChIKeyUSVFDXLEOAHRNH-UHFFFAOYSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
ethane;(1-methylpiperidin-4-yl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 176568951
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176796856
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901057

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 131944774) is [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCN(C3CCOCC3)CC2)CC1.
What is the InChIKey of [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is USVFDXLEOAHRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15(2)19-7-3-16(4-8-19)18(22)21-11-9-20(10-12-21)17-5-13-23-14-6-17/h15-17H,3-14H2,1-2H3.
What are the key properties of [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 323.48 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 131944774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).