3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one

C24H26N4O2 — CID 110263839

IUPAC3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(c3ccc(-c4cncnc4)cn3)C2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-22-8-4-18(5-9-22)6-11-24(29)28-12-2-3-20(16-28)23-10-7-19(15-27-23)21-13-25-17-26-14-21/h4-5,7-10,13-15,17,20H,2-3,6,11-12,16H2,1H3
InChIKeyJCRUPVCPLBPQLU-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.89
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 110263839) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID110263839
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(c3ccc(-c4cncnc4)cn3)C2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-22-8-4-18(5-9-22)6-11-24(29)28-12-2-3-20(16-28)23-10-7-19(15-27-23)21-13-25-17-26-14-21/h4-5,7-10,13-15,17,20H,2-3,6,11-12,16H2,1H3
InChIKeyJCRUPVCPLBPQLU-UHFFFAOYSA-N
XLogP3.89
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809696
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
1-[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255007
3-(4-methoxy-3-methylphenyl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264292
1-[(3S)-3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 125013341
6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92621849
1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95838850

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 110263839) is 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCCC(c3ccc(-c4cncnc4)cn3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is JCRUPVCPLBPQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-22-8-4-18(5-9-22)6-11-24(29)28-12-2-3-20(16-28)23-10-7-19(15-27-23)21-13-25-17-26-14-21/h4-5,7-10,13-15,17,20H,2-3,6,11-12,16H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 402.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110263839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).