1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid

C15H26N2O3 — CID 64564068

IUPAC1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C15H26N2O3/c18-14(6-5-12-7-9-16-10-8-12)17-11-3-1-2-4-13(17)15(19)20/h12-13,16H,1-11H2,(H,19,20)
InChIKeyLIUCPQMNTCRHFG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds4

About 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid

1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid (PubChem CID 64564068) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
PubChem CID64564068
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C15H26N2O3/c18-14(6-5-12-7-9-16-10-8-12)17-11-3-1-2-4-13(17)15(19)20/h12-13,16H,1-11H2,(H,19,20)
InChIKeyLIUCPQMNTCRHFG-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
(2R)-1-[3-(oxan-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119370991
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 55049627
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
(2S)-1-[3-[(3S)-oxan-3-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 124702759
1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 114627151
1-decanoylazepane-2-carboxylic acid
CID 64558604

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid (CID 64564068) is 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid is O=C(O)C1CCCCCN1C(=O)CCC1CCNCC1.
What is the InChIKey of 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid?
The InChIKey is LIUCPQMNTCRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(6-5-12-7-9-16-10-8-12)17-11-3-1-2-4-13(17)15(19)20/h12-13,16H,1-11H2,(H,19,20).
What are the key properties of 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid?
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64564068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).