5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 83991679

IUPAC5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
SMILESCC(C)CC(=O)N1CC(NC2CC2)CC(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9(2)5-13(17)16-7-10(14(18)19)6-12(8-16)15-11-3-4-11/h9-12,15H,3-8H2,1-2H3,(H,18,19)
InChIKeyXGJOTXHEZDZYTP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds5

About 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid

5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid (PubChem CID 83991679) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
PubChem CID83991679
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
SMILESCC(C)CC(=O)N1CC(NC2CC2)CC(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9(2)5-13(17)16-7-10(14(18)19)6-12(8-16)15-11-3-4-11/h9-12,15H,3-8H2,1-2H3,(H,18,19)
InChIKeyXGJOTXHEZDZYTP-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylbutan-1-one
CID 110867840
5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182817
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339
1-[3-(dimethylamino)azetidin-1-yl]-3-methylbutan-1-one
CID 134459250

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid (CID 83991679) is 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid is CC(C)CC(=O)N1CC(NC2CC2)CC(C(=O)O)C1.
What is the InChIKey of 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
The InChIKey is XGJOTXHEZDZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)5-13(17)16-7-10(14(18)19)6-12(8-16)15-11-3-4-11/h9-12,15H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid?
5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-1-(3-methylbutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83991679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).