4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid

C17H25N3O5 — CID 68962780

IUPAC4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid
SMILESCOC(CN(C(=O)Nc1ccccc1)C1CCN(C(=O)O)CC1)OC
InChIInChI=1S/C17H25N3O5/c1-24-15(25-2)12-20(14-8-10-19(11-9-14)17(22)23)16(21)18-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyWLLYLQODBORGQF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.28
Rot. Bonds6

About 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid

4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid (PubChem CID 68962780) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid
PubChem CID68962780
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid
SMILESCOC(CN(C(=O)Nc1ccccc1)C1CCN(C(=O)O)CC1)OC
InChIInChI=1S/C17H25N3O5/c1-24-15(25-2)12-20(14-8-10-19(11-9-14)17(22)23)16(21)18-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyWLLYLQODBORGQF-UHFFFAOYSA-N
XLogP2.28
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid
CID 4095855
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
4-[3,3-diphenylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 69321680
4-[4-[4-(2,2-dimethoxyethyl)anilino]piperidine-1-carbonyl]piperidine-1-carboxylic acid
CID 18173657
1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 118765088
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid
CID 175226509
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
1-(3-amino-3-sulfanylidenepropyl)-1-cyclopropyl-3-phenylurea
CID 54996612

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid (CID 68962780) is 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid is COC(CN(C(=O)Nc1ccccc1)C1CCN(C(=O)O)CC1)OC.
What is the InChIKey of 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid?
The InChIKey is WLLYLQODBORGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-24-15(25-2)12-20(14-8-10-19(11-9-14)17(22)23)16(21)18-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid?
4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68962780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).