[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone

C26H39N3O2 — CID 69354891

IUPAC[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C26H39N3O2/c30-26(29-15-2-1-3-16-29)21-7-9-23(10-8-21)28-19-13-25(14-20-28)31-24-11-17-27(18-12-24)22-5-4-6-22/h7-10,22,24-25H,1-6,11-20H2
InChIKeyKZRVFYGOPLIDJO-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.32
Rot. Bonds5

About [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone

[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 69354891) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID69354891
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C26H39N3O2/c30-26(29-15-2-1-3-16-29)21-7-9-23(10-8-21)28-19-13-25(14-20-28)31-24-11-17-27(18-12-24)22-5-4-6-22/h7-10,22,24-25H,1-6,11-20H2
InChIKeyKZRVFYGOPLIDJO-UHFFFAOYSA-N
XLogP4.32
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
CID 26328776
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
6-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
CID 69353827
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 42592489
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone (CID 69354891) is [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1)N1CCCCC1.
What is the InChIKey of [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is KZRVFYGOPLIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c30-26(29-15-2-1-3-16-29)21-7-9-23(10-8-21)28-19-13-25(14-20-28)31-24-11-17-27(18-12-24)22-5-4-6-22/h7-10,22,24-25H,1-6,11-20H2.
What are the key properties of [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone?
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 425.62 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 69354891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).