2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide

C28H34N2O5 — CID 174597488

IUPAC2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCOCc1ccc2ccc(CN3CCC(NC(=O)c4ccc(OC)c(OC)c4OC)CC3)cc2c1
InChIInChI=1S/C28H34N2O5/c1-32-18-20-6-8-21-7-5-19(15-22(21)16-20)17-30-13-11-23(12-14-30)29-28(31)24-9-10-25(33-2)27(35-4)26(24)34-3/h5-10,15-16,23H,11-14,17-18H2,1-4H3,(H,29,31)
InChIKeySBMQYRJGWRZGFC-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.41
Rot. Bonds9

About 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide

2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 174597488) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID174597488
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCOCc1ccc2ccc(CN3CCC(NC(=O)c4ccc(OC)c(OC)c4OC)CC3)cc2c1
InChIInChI=1S/C28H34N2O5/c1-32-18-20-6-8-21-7-5-19(15-22(21)16-20)17-30-13-11-23(12-14-30)29-28(31)24-9-10-25(33-2)27(35-4)26(24)34-3/h5-10,15-16,23H,11-14,17-18H2,1-4H3,(H,29,31)
InChIKeySBMQYRJGWRZGFC-UHFFFAOYSA-N
XLogP4.41
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
CID 90836588
3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
N-(1-benzylpiperidin-4-yl)-5-iodo-2,3-dimethoxybenzamide
CID 15167711
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 68972696
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide (CID 174597488) is 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide is COCc1ccc2ccc(CN3CCC(NC(=O)c4ccc(OC)c(OC)c4OC)CC3)cc2c1.
What is the InChIKey of 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is SBMQYRJGWRZGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-32-18-20-6-8-21-7-5-19(15-22(21)16-20)17-30-13-11-23(12-14-30)29-28(31)24-9-10-25(33-2)27(35-4)26(24)34-3/h5-10,15-16,23H,11-14,17-18H2,1-4H3,(H,29,31).
What are the key properties of 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[1-[[7-(methoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 174597488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).