3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid

C14H24N2O3 — CID 114108736

IUPAC3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1(CNC(=O)N2CCCC(C)(C(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3/c1-13(5-3-6-13)9-15-12(19)16-8-4-7-14(2,10-16)11(17)18/h3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJDJXZKUQOKRBGJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 114108736) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID114108736
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1(CNC(=O)N2CCCC(C)(C(=O)O)C2)CCC1
InChIInChI=1S/C14H24N2O3/c1-13(5-3-6-13)9-15-12(19)16-8-4-7-14(2,10-16)11(17)18/h3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJDJXZKUQOKRBGJ-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
N-[(1-methylcyclobutyl)methyl]piperidine-1-carboxamide
CID 103736206
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137282
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667
3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide
CID 110024481
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 114108736) is 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid is CC1(CNC(=O)N2CCCC(C)(C(=O)O)C2)CCC1.
What is the InChIKey of 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JDJXZKUQOKRBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(5-3-6-13)9-15-12(19)16-8-4-7-14(2,10-16)11(17)18/h3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 114108736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).