4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one

C26H39N3O3 — CID 15986819

IUPAC4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one
SMILESCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)C4(C)CCCCC4)CC3=O)cc2)CC1
InChIInChI=1S/C26H39N3O3/c1-20(2)27-15-11-23(12-16-27)32-22-9-7-21(8-10-22)29-18-17-28(19-24(29)30)25(31)26(3)13-5-4-6-14-26/h7-10,20,23H,4-6,11-19H2,1-3H3
InChIKeyIVEQOHITQJEREZ-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.08
Rot. Bonds5

About 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one

4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one (PubChem CID 15986819) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one.

Molecular Properties

Compound Name4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one
PubChem CID15986819
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one
SMILESCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)C4(C)CCCCC4)CC3=O)cc2)CC1
InChIInChI=1S/C26H39N3O3/c1-20(2)27-15-11-23(12-16-27)32-22-9-7-21(8-10-22)29-18-17-28(19-24(29)30)25(31)26(3)13-5-4-6-14-26/h7-10,20,23H,4-6,11-19H2,1-3H3
InChIKeyIVEQOHITQJEREZ-UHFFFAOYSA-N
XLogP4.08
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one with MolForge

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Related Compounds

8-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 10719846
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
CID 11742940
N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-adamantyl)acetamide
CID 90668283
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11154198
8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decan-7-one
CID 11303253
4-(4-Methylbenzoyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one;hydrochloride
CID 24748804
1-[4-(1-Cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride
CID 24749184
1-[4-(1-Cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-fluorobenzoyl)piperazin-2-one;hydrochloride
CID 24749185
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 4880243
N~1~-{2-[4-(4-Methoxyphenyl)piperazino]-2-oxoethyl}-2-phenylacetamide
CID 2568912
1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
CID 9802305

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one?
The IUPAC name of 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one (CID 15986819) is 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one.
What is the SMILES notation for 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one?
The canonical SMILES for 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one is CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)C4(C)CCCCC4)CC3=O)cc2)CC1.
What is the InChIKey of 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one?
The InChIKey is IVEQOHITQJEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-20(2)27-15-11-23(12-16-27)32-22-9-7-21(8-10-22)29-18-17-28(19-24(29)30)25(31)26(3)13-5-4-6-14-26/h7-10,20,23H,4-6,11-19H2,1-3H3.
What are the key properties of 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one?
4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one has a molecular weight of 441.62 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one is sourced from PubChem (CID 15986819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).