cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone

C20H29N3O2 — CID 91916364

IUPACcyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(17-3-4-17)23-12-7-19(8-13-23)25-18-5-10-22(11-6-18)15-16-2-1-9-21-14-16/h1-2,9,14,17-19H,3-8,10-13,15H2
InChIKeyLNQMOPIOXPXRIH-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.46
Rot. Bonds5

About cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone

cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone (PubChem CID 91916364) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
PubChem CID91916364
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Namecyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(17-3-4-17)23-12-7-19(8-13-23)25-18-5-10-22(11-6-18)15-16-2-1-9-21-14-16/h1-2,9,14,17-19H,3-8,10-13,15H2
InChIKeyLNQMOPIOXPXRIH-UHFFFAOYSA-N
XLogP2.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone (CID 91916364) is cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone is O=C(C1CC1)N1CCC(OC2CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
The InChIKey is LNQMOPIOXPXRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(17-3-4-17)23-12-7-19(8-13-23)25-18-5-10-22(11-6-18)15-16-2-1-9-21-14-16/h1-2,9,14,17-19H,3-8,10-13,15H2.
What are the key properties of cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone?
cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).