1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone

C24H30N4O3 — CID 24792068

IUPAC1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1
InChIInChI=1S/C24H30N4O3/c1-19(29)27-14-16-28(17-15-27)24(30)20-5-7-22(8-6-20)31-23-9-12-26(13-10-23)18-21-4-2-3-11-25-21/h2-8,11,23H,9-10,12-18H2,1H3
InChIKeyOADOBEUKRSTZOF-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.43
Rot. Bonds5

About 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone

1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone (PubChem CID 24792068) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone
PubChem CID24792068
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1
InChIInChI=1S/C24H30N4O3/c1-19(29)27-14-16-28(17-15-27)24(30)20-5-7-22(8-6-20)31-23-9-12-26(13-10-23)18-21-4-2-3-11-25-21/h2-8,11,23H,9-10,12-18H2,1H3
InChIKeyOADOBEUKRSTZOF-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone (CID 24792068) is 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone?
The InChIKey is OADOBEUKRSTZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-19(29)27-14-16-28(17-15-27)24(30)20-5-7-22(8-6-20)31-23-9-12-26(13-10-23)18-21-4-2-3-11-25-21/h2-8,11,23H,9-10,12-18H2,1H3.
What are the key properties of 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone?
1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone has a molecular weight of 422.53 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24792068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).