1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone

C16H29N3O2 — CID 131933898

IUPAC1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H29N3O2/c20-16(13-14-1-5-17-6-2-14)19-9-7-18(8-10-19)15-3-11-21-12-4-15/h14-15,17H,1-13H2
InChIKeyXUNQTYYPZCVNKP-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.70
Rot. Bonds3

About 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone

1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 131933898) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
PubChem CID131933898
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H29N3O2/c20-16(13-14-1-5-17-6-2-14)19-9-7-18(8-10-19)15-3-11-21-12-4-15/h14-15,17H,1-13H2
InChIKeyXUNQTYYPZCVNKP-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone with MolForge

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Related Compounds

1-[4-(oxan-4-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942338
2-cyclobutyl-1-(4-piperidin-3-ylpiperazin-1-yl)ethanone
CID 115277281
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 171675938
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone (CID 131933898) is 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is XUNQTYYPZCVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-16(13-14-1-5-17-6-2-14)19-9-7-18(8-10-19)15-3-11-21-12-4-15/h14-15,17H,1-13H2.
What are the key properties of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone?
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 295.43 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 131933898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).