2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C19H31N3O2 — CID 120775483

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C19H31N3O2/c1-14(15-8-6-7-9-16(15)24-5)21(4)18(23)12-22-11-10-17(20)19(2,3)13-22/h6-9,14,17H,10-13,20H2,1-5H3
InChIKeyUEHSHZTUKGHAEI-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 120775483) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID120775483
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C19H31N3O2/c1-14(15-8-6-7-9-16(15)24-5)21(4)18(23)12-22-11-10-17(20)19(2,3)13-22/h6-9,14,17H,10-13,20H2,1-5H3
InChIKeyUEHSHZTUKGHAEI-UHFFFAOYSA-N
XLogP2.27
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120761456
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 120775174
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 120774634
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 97279194
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 120775346
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 120774605
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 95279087
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 120775332

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 120775483) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccccc1C(C)N(C)C(=O)CN1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is UEHSHZTUKGHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(15-8-6-7-9-16(15)24-5)21(4)18(23)12-22-11-10-17(20)19(2,3)13-22/h6-9,14,17H,10-13,20H2,1-5H3.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 333.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 120775483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).