(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone

C18H25N3O4 — CID 119730652

IUPAC(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCNCC1
InChIInChI=1S/C18H25N3O4/c1-25-18(6-8-19-9-7-18)17(24)21-12-10-20(11-13-21)16(23)14-2-4-15(22)5-3-14/h2-5,19,22H,6-13H2,1H3
InChIKeyJQHCKBXXCWWIOK-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.45
Rot. Bonds3

About (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone

(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 119730652) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID119730652
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
SMILESCOC1(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCNCC1
InChIInChI=1S/C18H25N3O4/c1-25-18(6-8-19-9-7-18)17(24)21-12-10-20(11-13-21)16(23)14-2-4-15(22)5-3-14/h2-5,19,22H,6-13H2,1H3
InChIKeyJQHCKBXXCWWIOK-UHFFFAOYSA-N
XLogP0.45
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone (CID 119730652) is (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone is COC1(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCNCC1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JQHCKBXXCWWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-25-18(6-8-19-9-7-18)17(24)21-12-10-20(11-13-21)16(23)14-2-4-15(22)5-3-14/h2-5,19,22H,6-13H2,1H3.
What are the key properties of (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone?
(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119730652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).