2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid

C20H28N2O5 — CID 119228405

IUPAC2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C20H28N2O5/c1-15(20(25)26)14-21(2)19(24)16-8-11-22(12-9-16)18(23)10-13-27-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,25,26)
InChIKeyZHMYBMKBEQBSME-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.87
Rot. Bonds8

About 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid

2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 119228405) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID119228405
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C20H28N2O5/c1-15(20(25)26)14-21(2)19(24)16-8-11-22(12-9-16)18(23)10-13-27-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,25,26)
InChIKeyZHMYBMKBEQBSME-UHFFFAOYSA-N
XLogP1.87
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198435
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 119228405) is 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid is CC(CN(C)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is ZHMYBMKBEQBSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-15(20(25)26)14-21(2)19(24)16-8-11-22(12-9-16)18(23)10-13-27-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 376.45 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119228405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).