3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide

C26H28N2O4 — CID 108935320

IUPAC3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)c3cccc4ccccc34)CC2)cc1OC
InChIInChI=1S/C26H28N2O4/c1-31-23-11-10-20(16-24(23)32-2)25(29)27-17-18-12-14-28(15-13-18)26(30)22-9-5-7-19-6-3-4-8-21(19)22/h3-11,16,18H,12-15,17H2,1-2H3,(H,27,29)
InChIKeyMBPSUYOVKAQCSL-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.14
Rot. Bonds6

About 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide

3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 108935320) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID108935320
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(=O)c3cccc4ccccc34)CC2)cc1OC
InChIInChI=1S/C26H28N2O4/c1-31-23-11-10-20(16-24(23)32-2)25(29)27-17-18-12-14-28(15-13-18)26(30)22-9-5-7-19-6-3-4-8-21(19)22/h3-11,16,18H,12-15,17H2,1-2H3,(H,27,29)
InChIKeyMBPSUYOVKAQCSL-UHFFFAOYSA-N
XLogP4.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
3-bromo-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935231
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2-sulfanylbenzamide
CID 108935334
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927015
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-2,3,4-trifluorobenzamide
CID 108935387

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide (CID 108935320) is 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide is COc1ccc(C(=O)NCC2CCN(C(=O)c3cccc4ccccc34)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is MBPSUYOVKAQCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-31-23-11-10-20(16-24(23)32-2)25(29)27-17-18-12-14-28(15-13-18)26(30)22-9-5-7-19-6-3-4-8-21(19)22/h3-11,16,18H,12-15,17H2,1-2H3,(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide?
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 108935320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).