2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C19H31N3O2 — CID 119920407

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2ccccc2COC(C)C)C1
InChIInChI=1S/C19H31N3O2/c1-15(2)24-14-17-8-5-4-7-16(17)11-21-19(23)13-22-10-6-9-18(12-22)20-3/h4-5,7-8,15,18,20H,6,9-14H2,1-3H3,(H,21,23)
InChIKeyLGQHQLUVQVECCI-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.91
Rot. Bonds8

About 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 119920407) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID119920407
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2ccccc2COC(C)C)C1
InChIInChI=1S/C19H31N3O2/c1-15(2)24-14-17-8-5-4-7-16(17)11-21-19(23)13-22-10-6-9-18(12-22)20-3/h4-5,7-8,15,18,20H,6,9-14H2,1-3H3,(H,21,23)
InChIKeyLGQHQLUVQVECCI-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 119920423
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111750125
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 119920407) is 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is CNC1CCCN(CC(=O)NCc2ccccc2COC(C)C)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is LGQHQLUVQVECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)24-14-17-8-5-4-7-16(17)11-21-19(23)13-22-10-6-9-18(12-22)20-3/h4-5,7-8,15,18,20H,6,9-14H2,1-3H3,(H,21,23).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119920407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).