1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid

C15H26N2O3 — CID 62097465

IUPAC1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1CCCCN1CCCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C15H26N2O3/c1-12-6-2-3-10-17(12)11-5-9-16-13(18)15(14(19)20)7-4-8-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyAINGRWLBFJCEGL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds6

About 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid

1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62097465) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62097465
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC1CCCCN1CCCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C15H26N2O3/c1-12-6-2-3-10-17(12)11-5-9-16-13(18)15(14(19)20)7-4-8-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyAINGRWLBFJCEGL-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2,2-dimethyl-4-[3-(2-methylpiperidin-1-yl)propylamino]-4-oxobutanoic acid
CID 65297461
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 47036265

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62097465) is 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid is CC1CCCCN1CCCNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AINGRWLBFJCEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-6-2-3-10-17(12)11-5-9-16-13(18)15(14(19)20)7-4-8-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).