furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C20H25N5O3 — CID 109353067

IUPACfuran-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(N3CCN(C(=O)c4ccco4)CC3)ncn2)C1
InChIInChI=1S/C20H25N5O3/c1-15-4-2-6-25(13-15)19(26)16-12-18(22-14-21-16)23-7-9-24(10-8-23)20(27)17-5-3-11-28-17/h3,5,11-12,14-15H,2,4,6-10,13H2,1H3
InChIKeyAKRABJKCXFTZQQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.90
Rot. Bonds3

About furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 109353067) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID109353067
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Namefuran-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(N3CCN(C(=O)c4ccco4)CC3)ncn2)C1
InChIInChI=1S/C20H25N5O3/c1-15-4-2-6-25(13-15)19(26)16-12-18(22-14-21-16)23-7-9-24(10-8-23)20(27)17-5-3-11-28-17/h3,5,11-12,14-15H,2,4,6-10,13H2,1H3
InChIKeyAKRABJKCXFTZQQ-UHFFFAOYSA-N
XLogP1.90
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345746
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124094
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520481
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 109353067) is furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone is CC1CCCN(C(=O)c2cc(N3CCN(C(=O)c4ccco4)CC3)ncn2)C1.
What is the InChIKey of furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is AKRABJKCXFTZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-4-2-6-25(13-15)19(26)16-12-18(22-14-21-16)23-7-9-24(10-8-23)20(27)17-5-3-11-28-17/h3,5,11-12,14-15H,2,4,6-10,13H2,1H3.
What are the key properties of furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 109353067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).