4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid

C15H26N2O3 — CID 63830713

IUPAC4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1(CNC(=O)N2CCC(C)(C(=O)O)CC2)CCCC1
InChIInChI=1S/C15H26N2O3/c1-14(5-3-4-6-14)11-16-13(20)17-9-7-15(2,8-10-17)12(18)19/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFIXBGCYDHUQBBW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds3

About 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63830713) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63830713
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCC1(CNC(=O)N2CCC(C)(C(=O)O)CC2)CCCC1
InChIInChI=1S/C15H26N2O3/c1-14(5-3-4-6-14)11-16-13(20)17-9-7-15(2,8-10-17)12(18)19/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFIXBGCYDHUQBBW-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 63830713) is 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid is CC1(CNC(=O)N2CCC(C)(C(=O)O)CC2)CCCC1.
What is the InChIKey of 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is FIXBGCYDHUQBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(5-3-4-6-14)11-16-13(20)17-9-7-15(2,8-10-17)12(18)19/h3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63830713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).