cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

C20H29N3O2 — CID 90617078

IUPACcyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(16-2-1-3-16)23-12-6-17(7-13-23)22-14-8-19(9-15-22)25-18-4-10-21-11-5-18/h4-5,10-11,16-17,19H,1-3,6-9,12-15H2
InChIKeyCEYMPUKVPNLWLK-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.72
Rot. Bonds4

About cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90617078) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90617078
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Namecyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(16-2-1-3-16)23-12-6-17(7-13-23)22-14-8-19(9-15-22)25-18-4-10-21-11-5-18/h4-5,10-11,16-17,19H,1-3,6-9,12-15H2
InChIKeyCEYMPUKVPNLWLK-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617346
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
CID 154829496
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90617078) is cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is CEYMPUKVPNLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(16-2-1-3-16)23-12-6-17(7-13-23)22-14-8-19(9-15-22)25-18-4-10-21-11-5-18/h4-5,10-11,16-17,19H,1-3,6-9,12-15H2.
What are the key properties of cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90617078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).