5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid

C18H27N3O3 — CID 122122170

IUPAC5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)N(C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-13-9-15(17(22)23)12-21(11-13)18(24)19-10-14(2)20(3)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyBDQFAEWLPLCFII-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.26
Rot. Bonds5

About 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122170) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122122170
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)N(C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-13-9-15(17(22)23)12-21(11-13)18(24)19-10-14(2)20(3)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyBDQFAEWLPLCFII-UHFFFAOYSA-N
XLogP2.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852
5-methyl-1-[(2-methyl-1,3-dihydroinden-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123345
5-methyl-1-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123957
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid (CID 122122170) is 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCC(C)N(C)c2ccccc2)C1.
What is the InChIKey of 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BDQFAEWLPLCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-9-15(17(22)23)12-21(11-13)18(24)19-10-14(2)20(3)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).