2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

C20H33N3O2 — CID 56802568

IUPAC2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(C)CC1CCN(CC(C)O)CC1
InChIInChI=1S/C20H33N3O2/c1-16-6-4-5-7-19(16)12-21-20(25)15-22(3)14-18-8-10-23(11-9-18)13-17(2)24/h4-7,17-18,24H,8-15H2,1-3H3,(H,21,25)
InChIKeyYFHZNWYVNWLOIL-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.64
Rot. Bonds8

About 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 56802568) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID56802568
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(C)CC1CCN(CC(C)O)CC1
InChIInChI=1S/C20H33N3O2/c1-16-6-4-5-7-19(16)12-21-20(25)15-22(3)14-18-8-10-23(11-9-18)13-17(2)24/h4-7,17-18,24H,8-15H2,1-3H3,(H,21,25)
InChIKeyYFHZNWYVNWLOIL-UHFFFAOYSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 95341234
2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95340516
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 166623466
formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 171321399
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 60505271
2-[[(3S)-1,1-dioxothiolan-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 95775435
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide
CID 86895124
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (CID 56802568) is 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN(C)CC1CCN(CC(C)O)CC1.
What is the InChIKey of 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is YFHZNWYVNWLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-6-4-5-7-19(16)12-21-20(25)15-22(3)14-18-8-10-23(11-9-18)13-17(2)24/h4-7,17-18,24H,8-15H2,1-3H3,(H,21,25).
What are the key properties of 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 56802568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).