1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride

C27H34ClN3O3 — CID 24749184

IUPAC1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1.Cl
InChIInChI=1S/C27H33N3O3.ClH/c1-20-5-7-21(8-6-20)27(32)29-17-18-30(26(31)19-29)23-9-11-24(12-10-23)33-25-13-15-28(16-14-25)22-3-2-4-22;/h5-12,22,25H,2-4,13-19H2,1H3;1H
InChIKeyGFGGZTNVJUNZEE-UHFFFAOYSA-N
MW484.04 g/mol
LogP4.30
Rot. Bonds5

About 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride

1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride (PubChem CID 24749184) has the molecular formula C27H34ClN3O3 and a molecular weight of 484.04 g/mol. Its IUPAC name is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride
PubChem CID24749184
Molecular FormulaC27H34ClN3O3
Molecular Weight484.04 g/mol
Exact Mass483.23
IUPAC Name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1.Cl
InChIInChI=1S/C27H33N3O3.ClH/c1-20-5-7-21(8-6-20)27(32)29-17-18-30(26(31)19-29)23-9-11-24(12-10-23)33-25-13-15-28(16-14-25)22-3-2-4-22;/h5-12,22,25H,2-4,13-19H2,1H3;1H
InChIKeyGFGGZTNVJUNZEE-UHFFFAOYSA-N
XLogP4.30
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride (CID 24749184) is 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride is Cc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)C(=O)C2)cc1.Cl.
What is the InChIKey of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride?
The InChIKey is GFGGZTNVJUNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3.ClH/c1-20-5-7-21(8-6-20)27(32)29-17-18-30(26(31)19-29)23-9-11-24(12-10-23)33-25-13-15-28(16-14-25)22-3-2-4-22;/h5-12,22,25H,2-4,13-19H2,1H3;1H.
What are the key properties of 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride?
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride has a molecular weight of 484.04 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylbenzoyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 24749184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).