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

C21H31N3O2 — CID 90617330

IUPACcyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C21H31N3O2/c25-21(17-3-1-2-4-17)24-13-7-18(8-14-24)23-15-9-20(10-16-23)26-19-5-11-22-12-6-19/h5-6,11-12,17-18,20H,1-4,7-10,13-16H2
InChIKeyJXYJVCCDKHMRRI-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.11
Rot. Bonds4

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

cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90617330) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90617330
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Namecyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C21H31N3O2/c25-21(17-3-1-2-4-17)24-13-7-18(8-14-24)23-15-9-20(10-16-23)26-19-5-11-22-12-6-19/h5-6,11-12,17-18,20H,1-4,7-10,13-16H2
InChIKeyJXYJVCCDKHMRRI-UHFFFAOYSA-N
XLogP3.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
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
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-cyclohexylmethanone
CID 68509579
1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
CID 154829496

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90617330) is cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is JXYJVCCDKHMRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21(17-3-1-2-4-17)24-13-7-18(8-14-24)23-15-9-20(10-16-23)26-19-5-11-22-12-6-19/h5-6,11-12,17-18,20H,1-4,7-10,13-16H2.
What are the key properties of cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90617330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).