1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one

C20H28N2O2 — CID 66784665

IUPAC1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1
InChIInChI=1S/C20H28N2O2/c23-18-8-12-21(13-9-18)17-4-6-19(7-5-17)24-20-10-14-22(15-11-20)16-2-1-3-16/h4-7,16,20H,1-3,8-15H2
InChIKeyCQXXJBSYCBFSPJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.25
Rot. Bonds4

About 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one

1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one (PubChem CID 66784665) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
PubChem CID66784665
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1
InChIInChI=1S/C20H28N2O2/c23-18-8-12-21(13-9-18)17-4-6-19(7-5-17)24-20-10-14-22(15-11-20)16-2-1-3-16/h4-7,16,20H,1-3,8-15H2
InChIKeyCQXXJBSYCBFSPJ-UHFFFAOYSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
CID 142798153
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
9-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(1-methylpyrazol-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783787
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
CID 15987109
1-(4-cycloheptyloxyphenyl)piperidin-4-amine
CID 82925702
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
CID 23151327
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 11441745

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one?
The IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one (CID 66784665) is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one.
What is the SMILES notation for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one?
The canonical SMILES for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one is O=C1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one?
The InChIKey is CQXXJBSYCBFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-18-8-12-21(13-9-18)17-4-6-19(7-5-17)24-20-10-14-22(15-11-20)16-2-1-3-16/h4-7,16,20H,1-3,8-15H2.
What are the key properties of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one?
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one has a molecular weight of 328.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one is sourced from PubChem (CID 66784665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).