[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C24H31N3O2 — CID 110249997

IUPAC[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCOc1cccc(-c2cccc(C3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1
InChIInChI=1S/C24H31N3O2/c1-26-14-11-18(12-15-26)24(28)27-13-5-7-20(17-27)23-10-4-9-22(25-23)19-6-3-8-21(16-19)29-2/h3-4,6,8-10,16,18,20H,5,7,11-15,17H2,1-2H3
InChIKeyQUVOFFHKTBXGBD-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.81
Rot. Bonds4

About [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 110249997) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID110249997
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCOc1cccc(-c2cccc(C3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1
InChIInChI=1S/C24H31N3O2/c1-26-14-11-18(12-15-26)24(28)27-13-5-7-20(17-27)23-10-4-9-22(25-23)19-6-3-8-21(16-19)29-2/h3-4,6,8-10,16,18,20H,5,7,11-15,17H2,1-2H3
InChIKeyQUVOFFHKTBXGBD-UHFFFAOYSA-N
XLogP3.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249697

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 110249997) is [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is COc1cccc(-c2cccc(C3CCCN(C(=O)C4CCN(C)CC4)C3)n2)c1.
What is the InChIKey of [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is QUVOFFHKTBXGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-26-14-11-18(12-15-26)24(28)27-13-5-7-20(17-27)23-10-4-9-22(25-23)19-6-3-8-21(16-19)29-2/h3-4,6,8-10,16,18,20H,5,7,11-15,17H2,1-2H3.
What are the key properties of [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 393.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 110249997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).