2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid

C19H25N3O4 — CID 119191903

IUPAC2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)O
InChIInChI=1S/C19H25N3O4/c1-3-10-19(2,17(24)25)21-16(23)13-8-11-22(12-9-13)18-20-14-6-4-5-7-15(14)26-18/h4-7,13H,3,8-12H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyZNUIQOPOXDXPLI-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.80
Rot. Bonds6

About 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid

2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 119191903) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid
PubChem CID119191903
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)O
InChIInChI=1S/C19H25N3O4/c1-3-10-19(2,17(24)25)21-16(23)13-8-11-22(12-9-13)18-20-14-6-4-5-7-15(14)26-18/h4-7,13H,3,8-12H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyZNUIQOPOXDXPLI-UHFFFAOYSA-N
XLogP2.80
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic 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-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
2-[4-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696424
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 97131841
3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
methyl 2-[[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-4-carbonyl]amino]acetate
CID 26324181
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid (CID 119191903) is 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)O.
What is the InChIKey of 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is ZNUIQOPOXDXPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-10-19(2,17(24)25)21-16(23)13-8-11-22(12-9-13)18-20-14-6-4-5-7-15(14)26-18/h4-7,13H,3,8-12H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid?
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 359.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119191903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).