(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride

C31H43ClN2O6 — CID 14676150

IUPAC(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCOc1cc2c(cc1OCCC)CCC(C(=O)N1CCN(Cc3cc(OC)c(OC)c(OC)c3)CC1)=C2.Cl
InChIInChI=1S/C31H42N2O6.ClH/c1-6-14-38-26-19-23-8-9-24(18-25(23)20-27(26)39-15-7-2)31(34)33-12-10-32(11-13-33)21-22-16-28(35-3)30(37-5)29(17-22)36-4;/h16-20H,6-15,21H2,1-5H3;1H
InChIKeyWPQFFPJXZPTAIR-UHFFFAOYSA-N
MW575.15 g/mol
LogP5.39
Rot. Bonds12

About (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride

(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 14676150) has the molecular formula C31H43ClN2O6 and a molecular weight of 575.15 g/mol. Its IUPAC name is (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID14676150
Molecular FormulaC31H43ClN2O6
Molecular Weight575.15 g/mol
Exact Mass574.28
IUPAC Name(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCOc1cc2c(cc1OCCC)CCC(C(=O)N1CCN(Cc3cc(OC)c(OC)c(OC)c3)CC1)=C2.Cl
InChIInChI=1S/C31H42N2O6.ClH/c1-6-14-38-26-19-23-8-9-24(18-25(23)20-27(26)39-15-7-2)31(34)33-12-10-32(11-13-33)21-22-16-28(35-3)30(37-5)29(17-22)36-4;/h16-20H,6-15,21H2,1-5H3;1H
InChIKeyWPQFFPJXZPTAIR-UHFFFAOYSA-N
XLogP5.39
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.15
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(5E)-2,3-dimethoxy-7,8,9,10-tetrahydrobenzo[8]annulen-6-yl]-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 10436846
(2,3-dimethoxy-8,9-dihydro-7H-benzo[7]annulen-6-yl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone;methanol
CID 67926810
(2,3-dimethoxy-8,9-dihydro-7H-benzo[7]annulen-6-yl)-[2-(ethoxymethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 10030569
ethyl 1-(2,3-dimethoxy-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylate
CID 10370750
(2,3-dimethoxy-8,9-dihydro-7H-benzo[7]annulen-6-yl)-[2-(methoxymethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 10392517
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766
2-amino-2-methyl-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119896241
[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476745
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28754
(2,3-dimethoxy-8,9-dihydro-7H-benzo[7]annulen-6-yl)-[4-(3,4,5-trimethoxyphenoxy)piperidin-1-yl]methanone
CID 10480998
1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 46970932
(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 14676158

Frequently Asked Questions

What is the IUPAC name of (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride (CID 14676150) is (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride is CCCOc1cc2c(cc1OCCC)CCC(C(=O)N1CCN(Cc3cc(OC)c(OC)c(OC)c3)CC1)=C2.Cl.
What is the InChIKey of (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WPQFFPJXZPTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O6.ClH/c1-6-14-38-26-19-23-8-9-24(18-25(23)20-27(26)39-15-7-2)31(34)33-12-10-32(11-13-33)21-22-16-28(35-3)30(37-5)29(17-22)36-4;/h16-20H,6-15,21H2,1-5H3;1H.
What are the key properties of (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride?
(6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 575.15 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dipropoxy-3,4-dihydronaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 14676150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).