2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

C19H31N3O2 — CID 120775332

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-5-24-16-8-6-15(7-9-16)12-21(4)18(23)13-22-11-10-17(20)19(2,3)14-22/h6-9,17H,5,10-14,20H2,1-4H3
InChIKeyWMHLBAGQIRFUOW-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.10
Rot. Bonds6

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

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 120775332) 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-[(4-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID120775332
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-5-24-16-8-6-15(7-9-16)12-21(4)18(23)13-22-11-10-17(20)19(2,3)14-22/h6-9,17H,5,10-14,20H2,1-4H3
InChIKeyWMHLBAGQIRFUOW-UHFFFAOYSA-N
XLogP2.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 120774187
2-(1,4-diazepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119905975
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120774190
(2S,4S)-1-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124807886
(2S,4R)-1-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124807885
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
2-[1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidin-3-yl]acetamide
CID 131963538
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 8531367
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 120774440

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (CID 120775332) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CN2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is WMHLBAGQIRFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-24-16-8-6-15(7-9-16)12-21(4)18(23)13-22-11-10-17(20)19(2,3)14-22/h6-9,17H,5,10-14,20H2,1-4H3.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 333.48 g/mol, XLogP of 2.10, 6 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-[(4-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 120775332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).