1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone

C23H29N3O2 — CID 95844190

IUPAC1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(c3cccc(Oc4ccccc4)n3)CC2)CC1
InChIInChI=1S/C23H29N3O2/c1-18(27)25-16-12-20(13-17-25)26-14-10-19(11-15-26)22-8-5-9-23(24-22)28-21-6-3-2-4-7-21/h2-9,19-20H,10-17H2,1H3
InChIKeyUGBIRAPHMRXRMK-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95844190) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID95844190
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(c3cccc(Oc4ccccc4)n3)CC2)CC1
InChIInChI=1S/C23H29N3O2/c1-18(27)25-16-12-20(13-17-25)26-14-10-19(11-15-26)22-8-5-9-23(24-22)28-21-6-3-2-4-7-21/h2-9,19-20H,10-17H2,1H3
InChIKeyUGBIRAPHMRXRMK-UHFFFAOYSA-N
XLogP4.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822427
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822603
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110256190
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
[3-phenoxy-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 73333225

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 95844190) is 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(c3cccc(Oc4ccccc4)n3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UGBIRAPHMRXRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(27)25-16-12-20(13-17-25)26-14-10-19(11-15-26)22-8-5-9-23(24-22)28-21-6-3-2-4-7-21/h2-9,19-20H,10-17H2,1H3.
What are the key properties of 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95844190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).