1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid

C12H22N2O4 — CID 43318547

IUPAC1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCOCCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-9-3-6-13-12(17)14-7-4-10(5-8-14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyWDYURWMBXRCKLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds6

About 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid

1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 43318547) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID43318547
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCOCCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-9-3-6-13-12(17)14-7-4-10(5-8-14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyWDYURWMBXRCKLB-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
4-[[[4-(3-ethoxypropylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019796
1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106005313
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
1-(4,8,13,17-tetramethylicosylcarbamoyl)piperidine-4-carboxylic acid
CID 175819564
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
1-[[1-(2-ethoxyethyl)cyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007515

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid (CID 43318547) is 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid is CCOCCCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is WDYURWMBXRCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-9-3-6-13-12(17)14-7-4-10(5-8-14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid?
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43318547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).