1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid

C12H20N2O3 — CID 63888290

IUPAC1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid
SMILESO=C1CC(N2CCCC(C(=O)O)C2)CCCN1
InChIInChI=1S/C12H20N2O3/c15-11-7-10(4-1-5-13-11)14-6-2-3-9(8-14)12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyMFOFGBCNCQCEIE-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds2

About 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid

1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid (PubChem CID 63888290) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid
PubChem CID63888290
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid
SMILESO=C1CC(N2CCCC(C(=O)O)C2)CCCN1
InChIInChI=1S/C12H20N2O3/c15-11-7-10(4-1-5-13-11)14-6-2-3-9(8-14)12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyMFOFGBCNCQCEIE-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-oxoazepan-4-yl)piperidin-3-yl]acetic acid
CID 63888494
4-(3,4-dihydroxypyrrolidin-1-yl)azepan-2-one
CID 106673017
4-(3-hydroxyazetidin-1-yl)azepan-2-one
CID 63888892
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
CID 565959
4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
CID 115302335
4-piperidin-1-ylpiperidin-2-one
CID 59127255
4-(3-piperazin-1-ylazetidin-1-yl)azepan-2-one
CID 66196759
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
5-(3-methylbutanoyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157013855
4-[(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-2-one
CID 95556143
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid (CID 63888290) is 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid is O=C1CC(N2CCCC(C(=O)O)C2)CCCN1.
What is the InChIKey of 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid?
The InChIKey is MFOFGBCNCQCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11-7-10(4-1-5-13-11)14-6-2-3-9(8-14)12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid?
1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63888290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).