naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C25H28N2O4 — CID 1122414

IUPACnaphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H28N2O4/c1-29-22-16-24(31-3)23(30-2)15-19(22)17-26-11-13-27(14-12-26)25(28)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,15-16H,11-14,17H2,1-3H3
InChIKeyLROXVKYKEGGBCV-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.82
Rot. Bonds6

About naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1122414) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1122414
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Namenaphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H28N2O4/c1-29-22-16-24(31-3)23(30-2)15-19(22)17-26-11-13-27(14-12-26)25(28)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,15-16H,11-14,17H2,1-3H3
InChIKeyLROXVKYKEGGBCV-UHFFFAOYSA-N
XLogP3.82
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7344591
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 14676158
pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072126
(2,3-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366104
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
3-[[4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 35254536
(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 1122414) is naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LROXVKYKEGGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-22-16-24(31-3)23(30-2)15-19(22)17-26-11-13-27(14-12-26)25(28)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,15-16H,11-14,17H2,1-3H3.
What are the key properties of naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 420.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1122414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).