N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

C18H29N3O2 — CID 110838955

IUPACN-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C18H29N3O2/c1-20-11-8-16(9-12-20)21(2)13-10-18(22)19-14-15-6-4-5-7-17(15)23-3/h4-7,16H,8-14H2,1-3H3,(H,19,22)
InChIKeyDEUBFKLRGJQEAG-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.73
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide

N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (PubChem CID 110838955) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
PubChem CID110838955
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(C)C1CCN(C)CC1
InChIInChI=1S/C18H29N3O2/c1-20-11-8-16(9-12-20)21(2)13-10-18(22)19-14-15-6-4-5-7-17(15)23-3/h4-7,16H,8-14H2,1-3H3,(H,19,22)
InChIKeyDEUBFKLRGJQEAG-UHFFFAOYSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide 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-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099
(Z)-2-cyano-3-[(2-methoxyphenyl)methylamino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838648
N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109021958
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide (CID 110838955) is N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is COc1ccccc1CNC(=O)CCN(C)C1CCN(C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
The InChIKey is DEUBFKLRGJQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20-11-8-16(9-12-20)21(2)13-10-18(22)19-14-15-6-4-5-7-17(15)23-3/h4-7,16H,8-14H2,1-3H3,(H,19,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 110838955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).