5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C20H29N3O3 — CID 122102444

IUPAC5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CCN(c2cccc(NC(=O)N3CC(C)CC(C(=O)O)C3)c2)CC1
InChIInChI=1S/C20H29N3O3/c1-14-6-8-22(9-7-14)18-5-3-4-17(11-18)21-20(26)23-12-15(2)10-16(13-23)19(24)25/h3-5,11,14-16H,6-10,12-13H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyMEYSECJKEFEXFC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.50
Rot. Bonds3

About 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122102444) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122102444
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CCN(c2cccc(NC(=O)N3CC(C)CC(C(=O)O)C3)c2)CC1
InChIInChI=1S/C20H29N3O3/c1-14-6-8-22(9-7-14)18-5-3-4-17(11-18)21-20(26)23-12-15(2)10-16(13-23)19(24)25/h3-5,11,14-16H,6-10,12-13H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyMEYSECJKEFEXFC-UHFFFAOYSA-N
XLogP3.50
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102071
1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103014
1-[[3-(cyclopentylsulfanylmethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102453
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102191
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122102444) is 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is CC1CCN(c2cccc(NC(=O)N3CC(C)CC(C(=O)O)C3)c2)CC1.
What is the InChIKey of 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MEYSECJKEFEXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-6-8-22(9-7-14)18-5-3-4-17(11-18)21-20(26)23-12-15(2)10-16(13-23)19(24)25/h3-5,11,14-16H,6-10,12-13H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122102444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).