4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid

C12H21NO4 — CID 103932837

IUPAC4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
SMILESCCCOCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-3-8-17-9-10(14)13-6-4-12(2,5-7-13)11(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyBWQRZCBTANMCJU-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.13
Rot. Bonds5

About 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid

4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid (PubChem CID 103932837) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
PubChem CID103932837
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
SMILESCCCOCC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-3-8-17-9-10(14)13-6-4-12(2,5-7-13)11(15)16/h3-9H2,1-2H3,(H,15,16)
InChIKeyBWQRZCBTANMCJU-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propoxyethanone
CID 120803973
1-(3-methoxypropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123434
1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone
CID 107941611
1-[4-(2-propoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 113227408
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
3-methyl-1-(3-propoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 82944645
1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid (CID 103932837) is 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid is CCCOCC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid?
The InChIKey is BWQRZCBTANMCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-8-17-9-10(14)13-6-4-12(2,5-7-13)11(15)16/h3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid?
4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 103932837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).