5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid

C17H30N2O2 — CID 83999424

IUPAC5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
SMILESCC1CC(N2CC(NC3CCCCC3)CC(C(=O)O)C2)C1
InChIInChI=1S/C17H30N2O2/c1-12-7-16(8-12)19-10-13(17(20)21)9-15(11-19)18-14-5-3-2-4-6-14/h12-16,18H,2-11H2,1H3,(H,20,21)
InChIKeyATBQUHNUAATOES-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.48
Rot. Bonds4

About 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid

5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid (PubChem CID 83999424) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
PubChem CID83999424
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
SMILESCC1CC(N2CC(NC3CCCCC3)CC(C(=O)O)C2)C1
InChIInChI=1S/C17H30N2O2/c1-12-7-16(8-12)19-10-13(17(20)21)9-15(11-19)18-14-5-3-2-4-6-14/h12-16,18H,2-11H2,1H3,(H,20,21)
InChIKeyATBQUHNUAATOES-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid (CID 83999424) is 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid is CC1CC(N2CC(NC3CCCCC3)CC(C(=O)O)C2)C1.
What is the InChIKey of 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid?
The InChIKey is ATBQUHNUAATOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12-7-16(8-12)19-10-13(17(20)21)9-15(11-19)18-14-5-3-2-4-6-14/h12-16,18H,2-11H2,1H3,(H,20,21).
What are the key properties of 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid?
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83999424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).