3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide

C29H36N2O4 — CID 11677281

IUPAC3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCCN2CCCCC2C)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C29H36N2O4/c1-21-10-7-8-15-30(21)16-9-17-31(25-14-13-22-11-5-6-12-23(22)18-25)29(32)24-19-26(33-2)28(35-4)27(20-24)34-3/h5-6,11-14,18-21H,7-10,15-17H2,1-4H3
InChIKeyMPLDHXTYXZGSGU-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.78
Rot. Bonds9

About 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide

3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide (PubChem CID 11677281) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide
PubChem CID11677281
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCCN2CCCCC2C)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C29H36N2O4/c1-21-10-7-8-15-30(21)16-9-17-31(25-14-13-22-11-5-6-12-23(22)18-25)29(32)24-19-26(33-2)28(35-4)27(20-24)34-3/h5-6,11-14,18-21H,7-10,15-17H2,1-4H3
InChIKeyMPLDHXTYXZGSGU-UHFFFAOYSA-N
XLogP5.78
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42700768
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,4,5-trimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057957
methyl 3-(3-phenylanilino)propanoate;1-(2-methylpiperidin-1-yl)-3-(3-phenylanilino)propan-1-one;N-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylaniline;methyl prop-2-enoate;3-phenylaniline;3-(3-phenylanilino)propanoic acid;3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-(3-phenylphenyl)benzamide
CID 159878285
N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide
CID 143210539
2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708096
2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 42708101
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 92866879
1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747
3,4,5-trimethoxy-N-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 91252358

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide (CID 11677281) is 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide is COc1cc(C(=O)N(CCCN2CCCCC2C)c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide?
The InChIKey is MPLDHXTYXZGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-21-10-7-8-15-30(21)16-9-17-31(25-14-13-22-11-5-6-12-23(22)18-25)29(32)24-19-26(33-2)28(35-4)27(20-24)34-3/h5-6,11-14,18-21H,7-10,15-17H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide?
3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide has a molecular weight of 476.62 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 11677281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).