2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide

C20H33N3O — CID 60505380

IUPAC2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCCCCN(C)CC1CCN(CC(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H33N3O/c1-4-5-13-21(2)16-18-11-14-23(15-12-18)17-20(24)22(3)19-9-7-6-8-10-19/h6-10,18H,4-5,11-17H2,1-3H3
InChIKeyWVYAAVRMHIJCGT-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.09
Rot. Bonds8

About 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 60505380) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID60505380
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCCCCN(C)CC1CCN(CC(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H33N3O/c1-4-5-13-21(2)16-18-11-14-23(15-12-18)17-20(24)22(3)19-9-7-6-8-10-19/h6-10,18H,4-5,11-17H2,1-3H3
InChIKeyWVYAAVRMHIJCGT-UHFFFAOYSA-N
XLogP3.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide 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

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 60505271
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 87011264
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60502457
3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
CID 87014882
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60505525
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-ethyl-2-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]ethanamine;N-methyl-N-phenylpropanamide
CID 142145298

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide (CID 60505380) is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide is CCCCN(C)CC1CCN(CC(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is WVYAAVRMHIJCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-4-5-13-21(2)16-18-11-14-23(15-12-18)17-20(24)22(3)19-9-7-6-8-10-19/h6-10,18H,4-5,11-17H2,1-3H3.
What are the key properties of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 331.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 60505380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).