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

C21H30N2O5 — CID 119192173

IUPAC2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C21H30N2O5/c1-3-12-21(2,20(26)27)22-19(25)16-9-13-23(14-10-16)18(24)11-15-28-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyFUVKPMBTANODQM-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.45
Rot. Bonds9

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

2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid (PubChem CID 119192173) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid
PubChem CID119192173
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C21H30N2O5/c1-3-12-21(2,20(26)27)22-19(25)16-9-13-23(14-10-16)18(24)11-15-28-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyFUVKPMBTANODQM-UHFFFAOYSA-N
XLogP2.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid (CID 119192173) is 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid is CCCC(C)(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid?
The InChIKey is FUVKPMBTANODQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-3-12-21(2,20(26)27)22-19(25)16-9-13-23(14-10-16)18(24)11-15-28-17-7-5-4-6-8-17/h4-8,16H,3,9-15H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid?
2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid has a molecular weight of 390.48 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119192173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).