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

C21H35N3O — CID 60505271

IUPAC2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCCCCN(C)CC1CCN(CC(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C21H35N3O/c1-4-5-12-23(3)16-19-10-13-24(14-11-19)17-21(25)22-15-20-9-7-6-8-18(20)2/h6-9,19H,4-5,10-17H2,1-3H3,(H,22,25)
InChIKeyBUIAIGJYEIWHQC-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.06
Rot. Bonds9

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

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60505271) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60505271
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCCCCN(C)CC1CCN(CC(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C21H35N3O/c1-4-5-12-23(3)16-19-10-13-24(14-11-19)17-21(25)22-15-20-9-7-6-8-18(20)2/h6-9,19H,4-5,10-17H2,1-3H3,(H,22,25)
InChIKeyBUIAIGJYEIWHQC-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 56802568
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 166623466
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 171321399
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 87011264
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 60505493
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56509640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 60505271) is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is CCCCN(C)CC1CCN(CC(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is BUIAIGJYEIWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-4-5-12-23(3)16-19-10-13-24(14-11-19)17-21(25)22-15-20-9-7-6-8-18(20)2/h6-9,19H,4-5,10-17H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 345.53 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 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-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60505271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).