3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C24H34N4O3 — CID 45210083

IUPAC3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOCc1ccc(CN2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1
InChIInChI=1S/C24H34N4O3/c1-30-19-22-9-8-21(31-22)18-26-12-4-5-20(17-26)7-10-24(29)28-15-13-27(14-16-28)23-6-2-3-11-25-23/h2-3,6,8-9,11,20H,4-5,7,10,12-19H2,1H3
InChIKeyVOCMDSPMPBLVMP-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.16
Rot. Bonds8

About 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 45210083) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID45210083
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOCc1ccc(CN2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1
InChIInChI=1S/C24H34N4O3/c1-30-19-22-9-8-21(31-22)18-26-12-4-5-20(17-26)7-10-24(29)28-15-13-27(14-16-28)23-6-2-3-11-25-23/h2-3,6,8-9,11,20H,4-5,7,10,12-19H2,1H3
InChIKeyVOCMDSPMPBLVMP-UHFFFAOYSA-N
XLogP3.16
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45222850
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CID 97283542
3-[1-(2-hydroxyethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72923350
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45217012
3-[(3S)-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 29153719
3-(1-acetylpiperidin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72912225
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-3-yl]propan-1-one
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3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56715718
3-[1-(4-methoxybenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 24817468
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
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3-[(3S)-1-[2-(diethylamino)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25365297
3-[(3R)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 26408155

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 45210083) is 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is COCc1ccc(CN2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1.
What is the InChIKey of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is VOCMDSPMPBLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-30-19-22-9-8-21(31-22)18-26-12-4-5-20(17-26)7-10-24(29)28-15-13-27(14-16-28)23-6-2-3-11-25-23/h2-3,6,8-9,11,20H,4-5,7,10,12-19H2,1H3.
What are the key properties of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 426.56 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 45210083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).