5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid

C18H26N2O4 — CID 122122970

IUPAC5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(C)COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O4/c1-13-8-16(17(21)22)10-20(9-13)18(23)19-14(2)11-24-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyAWGQSEBMZPPCFD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.34
Rot. Bonds6

About 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122122970) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122122970
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC(C)COCc2ccccc2)C1
InChIInChI=1S/C18H26N2O4/c1-13-8-16(17(21)22)10-20(9-13)18(23)19-14(2)11-24-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyAWGQSEBMZPPCFD-UHFFFAOYSA-N
XLogP2.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
5-methyl-1-[(5-oxo-5-propan-2-yloxypentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123680
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122726
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122754
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
1-[[1-(2-chlorophenyl)-1-methoxypropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123510

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 122122970) is 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC(C)COCc2ccccc2)C1.
What is the InChIKey of 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is AWGQSEBMZPPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-8-16(17(21)22)10-20(9-13)18(23)19-14(2)11-24-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122122970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).