5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one

C14H20N2O2 — CID 129101346

IUPAC5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
SMILESCOc1ccc(CN2CC(C)(N)CCC2=O)cc1
InChIInChI=1S/C14H20N2O2/c1-14(15)8-7-13(17)16(10-14)9-11-3-5-12(18-2)6-4-11/h3-6H,7-10,15H2,1-2H3
InChIKeyNJEQZXDMWPRLMI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds3

About 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one

5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one (PubChem CID 129101346) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
PubChem CID129101346
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
SMILESCOc1ccc(CN2CC(C)(N)CCC2=O)cc1
InChIInChI=1S/C14H20N2O2/c1-14(15)8-7-13(17)16(10-14)9-11-3-5-12(18-2)6-4-11/h3-6H,7-10,15H2,1-2H3
InChIKeyNJEQZXDMWPRLMI-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
CID 129101345
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95730261
ethane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 145304270
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
2-(3-hydroxypropyl)-9-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751868
[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
CID 175141193
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
CID 142987888
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one?
The IUPAC name of 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one (CID 129101346) is 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one?
The canonical SMILES for 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one is COc1ccc(CN2CC(C)(N)CCC2=O)cc1.
What is the InChIKey of 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one?
The InChIKey is NJEQZXDMWPRLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(15)8-7-13(17)16(10-14)9-11-3-5-12(18-2)6-4-11/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one?
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 129101346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).