1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid

C15H24N2O4 — CID 64560305

IUPAC1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)N2CCCCCC2C(=O)O)CC1
InChIInChI=1S/C15H24N2O4/c1-11(18)16-9-6-12(7-10-16)14(19)17-8-4-2-3-5-13(17)15(20)21/h12-13H,2-10H2,1H3,(H,20,21)
InChIKeyKYMPQRSTVCDIOK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds2

About 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid

1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid (PubChem CID 64560305) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
PubChem CID64560305
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)N2CCCCCC2C(=O)O)CC1
InChIInChI=1S/C15H24N2O4/c1-11(18)16-9-6-12(7-10-16)14(19)17-8-4-2-3-5-13(17)15(20)21/h12-13H,2-10H2,1H3,(H,20,21)
InChIKeyKYMPQRSTVCDIOK-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034572
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid (CID 64560305) is 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid is CC(=O)N1CCC(C(=O)N2CCCCCC2C(=O)O)CC1.
What is the InChIKey of 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The InChIKey is KYMPQRSTVCDIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(18)16-9-6-12(7-10-16)14(19)17-8-4-2-3-5-13(17)15(20)21/h12-13H,2-10H2,1H3,(H,20,21).
What are the key properties of 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64560305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).