(4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate

C17H29N3O5 — CID 143398755

IUPAC(4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate
SMILESCC(=O)CCC(=O)NOC(=O)C(C)NC(=O)CN1C(C)CCCC1C
InChIInChI=1S/C17H29N3O5/c1-11-6-5-7-12(2)20(11)10-16(23)18-14(4)17(24)25-19-15(22)9-8-13(3)21/h11-12,14H,5-10H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyMJZAYVAERRYQJA-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.70
Rot. Bonds7

About (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate

(4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate (PubChem CID 143398755) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Name(4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate
PubChem CID143398755
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name(4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate
SMILESCC(=O)CCC(=O)NOC(=O)C(C)NC(=O)CN1C(C)CCCC1C
InChIInChI=1S/C17H29N3O5/c1-11-6-5-7-12(2)20(11)10-16(23)18-14(4)17(24)25-19-15(22)9-8-13(3)21/h11-12,14H,5-10H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyMJZAYVAERRYQJA-UHFFFAOYSA-N
XLogP0.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate 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-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-N-hydroxyethanamine oxide
CID 163944689
2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 59404509
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
N-(3-hydrazinyl-3-oxopropyl)-2-[(2R,6S)-2-methyl-6-(113C)methyl(2,6-13C2,115N)azinan-1-yl]acetamide
CID 70958043
N-benzhydryl-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 117068368
2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide
CID 131155453
2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetic acid
CID 59404491
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 104968240
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
methyl (2S)-2-[[4-(azepan-1-yl)-4-oxobutanoyl]amino]propanoate
CID 175966410

Frequently Asked Questions

What is the IUPAC name of (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate (CID 143398755) is (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate is CC(=O)CCC(=O)NOC(=O)C(C)NC(=O)CN1C(C)CCCC1C.
What is the InChIKey of (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate?
The InChIKey is MJZAYVAERRYQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-11-6-5-7-12(2)20(11)10-16(23)18-14(4)17(24)25-19-15(22)9-8-13(3)21/h11-12,14H,5-10H2,1-4H3,(H,18,23)(H,19,22).
What are the key properties of (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate?
(4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate has a molecular weight of 355.44 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopentanoylamino) 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 143398755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).