1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

C23H30N4O2 — CID 58548003

IUPAC1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCN(c3cccc(C)n3)CC2)CC1
InChIInChI=1S/C23H30N4O2/c1-17-5-3-7-22(25-17)27-15-10-20(11-16-27)29-23-21(6-4-12-24-23)19-8-13-26(14-9-19)18(2)28/h3-7,12,19-20H,8-11,13-16H2,1-2H3
InChIKeyOUCCTMRVVLKJRL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.56
Rot. Bonds4

About 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 58548003) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID58548003
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCN(c3cccc(C)n3)CC2)CC1
InChIInChI=1S/C23H30N4O2/c1-17-5-3-7-22(25-17)27-15-10-20(11-16-27)29-23-21(6-4-12-24-23)19-8-13-26(14-9-19)18(2)28/h3-7,12,19-20H,8-11,13-16H2,1-2H3
InChIKeyOUCCTMRVVLKJRL-UHFFFAOYSA-N
XLogP3.56
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 58548003) is 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CCN(c3cccc(C)n3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is OUCCTMRVVLKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-5-3-7-22(25-17)27-15-10-20(11-16-27)29-23-21(6-4-12-24-23)19-8-13-26(14-9-19)18(2)28/h3-7,12,19-20H,8-11,13-16H2,1-2H3.
What are the key properties of 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58548003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).