[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C25H37N3O3 — CID 11441745

IUPAC[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1
InChIInChI=1S/C25H37N3O3/c29-25(28-16-18-30-19-17-28)27-12-8-21(9-13-27)20-4-6-23(7-5-20)31-24-10-14-26(15-11-24)22-2-1-3-22/h4-7,21-22,24H,1-3,8-19H2
InChIKeyPHUIPDGHPHAULA-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.71
Rot. Bonds4

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

[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 11441745) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID11441745
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1
InChIInChI=1S/C25H37N3O3/c29-25(28-16-18-30-19-17-28)27-12-8-21(9-13-27)20-4-6-23(7-5-20)31-24-10-14-26(15-11-24)22-2-1-3-22/h4-7,21-22,24H,1-3,8-19H2
InChIKeyPHUIPDGHPHAULA-UHFFFAOYSA-N
XLogP3.71
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042951
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205
2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
CID 142798153
4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]ethyl]oxane-4-carboxamide
CID 69215154
3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042227
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
CID 143888790
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
(4aR,8aS)-6-[3-(4-cyclopentyloxyphenyl)azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one
CID 158781541

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 11441745) is [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)CC1.
What is the InChIKey of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is PHUIPDGHPHAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c29-25(28-16-18-30-19-17-28)27-12-8-21(9-13-27)20-4-6-23(7-5-20)31-24-10-14-26(15-11-24)22-2-1-3-22/h4-7,21-22,24H,1-3,8-19H2.
What are the key properties of [4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 427.59 g/mol, XLogP of 3.71, 4 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)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11441745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).