[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C27H31N5O4 — CID 50845338

IUPAC[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(Oc2cc(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)ncn2)cc1
InChIInChI=1S/C27H31N5O4/c1-2-20-5-7-22(8-6-20)36-25-18-24(28-19-29-25)30-11-9-21(10-12-30)26(33)31-13-15-32(16-14-31)27(34)23-4-3-17-35-23/h3-8,17-19,21H,2,9-16H2,1H3
InChIKeyZSWZAJFMTCYPCH-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.63
Rot. Bonds6

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

[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 50845338) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID50845338
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(Oc2cc(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)ncn2)cc1
InChIInChI=1S/C27H31N5O4/c1-2-20-5-7-22(8-6-20)36-25-18-24(28-19-29-25)30-11-9-21(10-12-30)26(33)31-13-15-32(16-14-31)27(34)23-4-3-17-35-23/h3-8,17-19,21H,2,9-16H2,1H3
InChIKeyZSWZAJFMTCYPCH-UHFFFAOYSA-N
XLogP3.63
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121018156
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
CID 121168327
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520481
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
furan-2-yl-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185889
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 109353067
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 50845338) is [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)ncn2)cc1.
What is the InChIKey of [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ZSWZAJFMTCYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-2-20-5-7-22(8-6-20)36-25-18-24(28-19-29-25)30-11-9-21(10-12-30)26(33)31-13-15-32(16-14-31)27(34)23-4-3-17-35-23/h3-8,17-19,21H,2,9-16H2,1H3.
What are the key properties of [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 489.58 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-ethylphenoxy)pyrimidin-4-yl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50845338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).