[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C18H26N2O4 — CID 75532218

IUPAC[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESC/C=C/c1cc(C(=O)N2CCN(CCO)CC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O4/c1-4-5-14-12-15(13-16(23-2)17(14)24-3)18(22)20-8-6-19(7-9-20)10-11-21/h4-5,12-13,21H,6-11H2,1-3H3/b5-4+
InChIKeyYZIIXYAXWUICQS-SNAWJCMRSA-N
MW334.42 g/mol
LogP1.49
Rot. Bonds6

About [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 75532218) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID75532218
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESC/C=C/c1cc(C(=O)N2CCN(CCO)CC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O4/c1-4-5-14-12-15(13-16(23-2)17(14)24-3)18(22)20-8-6-19(7-9-20)10-11-21/h4-5,12-13,21H,6-11H2,1-3H3/b5-4+
InChIKeyYZIIXYAXWUICQS-SNAWJCMRSA-N
XLogP1.49
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 16573483
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180457
(4-prop-2-enyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 95750013
N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47029615
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 75532218) is [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is C/C=C/c1cc(C(=O)N2CCN(CCO)CC2)cc(OC)c1OC.
What is the InChIKey of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is YZIIXYAXWUICQS-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-5-14-12-15(13-16(23-2)17(14)24-3)18(22)20-8-6-19(7-9-20)10-11-21/h4-5,12-13,21H,6-11H2,1-3H3/b5-4+.
What are the key properties of [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75532218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).