1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid

C15H19NO4 — CID 129101345

IUPAC1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(CN2CC(C)(C(=O)O)CCC2=O)cc1
InChIInChI=1S/C15H19NO4/c1-15(14(18)19)8-7-13(17)16(10-15)9-11-3-5-12(20-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyUURIEDQNTWIGLO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid

1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 129101345) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
PubChem CID129101345
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccc(CN2CC(C)(C(=O)O)CCC2=O)cc1
InChIInChI=1S/C15H19NO4/c1-15(14(18)19)8-7-13(17)16(10-15)9-11-3-5-12(20-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyUURIEDQNTWIGLO-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 145304270
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95730261
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873
(3S)-3-methyl-1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]pyrrolidine-3-carboxylic acid
CID 124695626
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
(3R)-1-[(2R)-3-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686578
(3R)-1-[4-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686375
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
7-chloro-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-3,5-dihydro-1-benzazepine-4-carboxylic acid
CID 138687941

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid (CID 129101345) is 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid is COc1ccc(CN2CC(C)(C(=O)O)CCC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is UURIEDQNTWIGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(14(18)19)8-7-13(17)16(10-15)9-11-3-5-12(20-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 129101345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).