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

C11H20N2O3 — CID 114422022

IUPAC4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-12-11(16)13-6-4-8(2)7-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyYKCGGVFRQUXKCU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds3

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

4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 114422022) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID114422022
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-12-11(16)13-6-4-8(2)7-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyYKCGGVFRQUXKCU-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 115867389
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid (CID 114422022) is 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid is CCCNC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is YKCGGVFRQUXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-12-11(16)13-6-4-8(2)7-9(13)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid?
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114422022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).