3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid

C18H22F2N2O5 — CID 119233031

IUPAC3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C18H22F2N2O5/c1-21(10-8-15(23)24)16(25)12-5-4-9-22(11-12)17(26)13-6-2-3-7-14(13)27-18(19)20/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,23,24)
InChIKeyBCONDLVUTNFEMP-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.07
Rot. Bonds7

About 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid

3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119233031) has the molecular formula C18H22F2N2O5 and a molecular weight of 384.38 g/mol. Its IUPAC name is 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119233031
Molecular FormulaC18H22F2N2O5
Molecular Weight384.38 g/mol
Exact Mass384.15
IUPAC Name3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C18H22F2N2O5/c1-21(10-8-15(23)24)16(25)12-5-4-9-22(11-12)17(26)13-6-2-3-7-14(13)27-18(19)20/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,23,24)
InChIKeyBCONDLVUTNFEMP-UHFFFAOYSA-N
XLogP2.07
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic 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

N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119652684
1-[2-(difluoromethoxy)benzoyl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78862780
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
4-[[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]-methylamino]butanoic acid
CID 119173387
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid (CID 119233031) is 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is BCONDLVUTNFEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O5/c1-21(10-8-15(23)24)16(25)12-5-4-9-22(11-12)17(26)13-6-2-3-7-14(13)27-18(19)20/h2-3,6-7,12,18H,4-5,8-11H2,1H3,(H,23,24).
What are the key properties of 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid?
3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 384.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119233031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).