1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid

C17H24N2O3 — CID 82260777

IUPAC1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid
SMILESCC(Cc1ccc2c(c1)NCCO2)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24N2O3/c1-12(19-7-2-3-14(11-19)17(20)21)9-13-4-5-16-15(10-13)18-6-8-22-16/h4-5,10,12,14,18H,2-3,6-9,11H2,1H3,(H,20,21)
InChIKeyCBAZKWHIJYZWCT-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.22
Rot. Bonds4

About 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid

1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid (PubChem CID 82260777) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid
PubChem CID82260777
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid
SMILESCC(Cc1ccc2c(c1)NCCO2)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24N2O3/c1-12(19-7-2-3-14(11-19)17(20)21)9-13-4-5-16-15(10-13)18-6-8-22-16/h4-5,10,12,14,18H,2-3,6-9,11H2,1H3,(H,20,21)
InChIKeyCBAZKWHIJYZWCT-UHFFFAOYSA-N
XLogP2.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid
CID 84747688
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 82255857
6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline
CID 82255906
2-(azepan-1-yl)-1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82260692
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]acetic acid
CID 82261323
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
CID 82261379
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxylic acid
CID 65054433
1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
CID 84751556

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid (CID 82260777) is 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid is CC(Cc1ccc2c(c1)NCCO2)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid?
The InChIKey is CBAZKWHIJYZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(19-7-2-3-14(11-19)17(20)21)9-13-4-5-16-15(10-13)18-6-8-22-16/h4-5,10,12,14,18H,2-3,6-9,11H2,1H3,(H,20,21).
What are the key properties of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid?
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82260777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).