1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone

C28H29N5O3 — CID 46393062

IUPAC1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4ncnc5c4oc4ccccc45)CC3)CC2)cc1
InChIInChI=1S/C28H29N5O3/c1-19(34)20-6-8-22(9-7-20)31-14-16-33(17-15-31)28(35)21-10-12-32(13-11-21)27-26-25(29-18-30-27)23-4-2-3-5-24(23)36-26/h2-9,18,21H,10-17H2,1H3
InChIKeyFMOMRRWGNGOXHK-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.14
Rot. Bonds4

About 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 46393062) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID46393062
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4ncnc5c4oc4ccccc45)CC3)CC2)cc1
InChIInChI=1S/C28H29N5O3/c1-19(34)20-6-8-22(9-7-20)31-14-16-33(17-15-31)28(35)21-10-12-32(13-11-21)27-26-25(29-18-30-27)23-4-2-3-5-24(23)36-26/h2-9,18,21H,10-17H2,1H3
InChIKeyFMOMRRWGNGOXHK-UHFFFAOYSA-N
XLogP4.14
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 50835137
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 133285409
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391
[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 31662089
1,3-benzodioxol-5-yl-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 24679751
2-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2-fluoroacetamide
CID 126826467
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523
1-[4-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 90600458
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46393051
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135735155
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 46393062) is 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4ncnc5c4oc4ccccc45)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is FMOMRRWGNGOXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-19(34)20-6-8-22(9-7-20)31-14-16-33(17-15-31)28(35)21-10-12-32(13-11-21)27-26-25(29-18-30-27)23-4-2-3-5-24(23)36-26/h2-9,18,21H,10-17H2,1H3.
What are the key properties of 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 483.57 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 46393062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).