4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide

C12H21N3O3 — CID 139517074

IUPAC4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
SMILESNC(=O)CCCNC(=O)CCN1CCCCC1=O
InChIInChI=1S/C12H21N3O3/c13-10(16)4-3-7-14-11(17)6-9-15-8-2-1-5-12(15)18/h1-9H2,(H2,13,16)(H,14,17)
InChIKeyOCDJQXVCCXNRNF-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.23
Rot. Bonds7

About 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide

4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide (PubChem CID 139517074) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide.

Molecular Properties

Compound Name4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
PubChem CID139517074
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
SMILESNC(=O)CCCNC(=O)CCN1CCCCC1=O
InChIInChI=1S/C12H21N3O3/c13-10(16)4-3-7-14-11(17)6-9-15-8-2-1-5-12(15)18/h1-9H2,(H2,13,16)(H,14,17)
InChIKeyOCDJQXVCCXNRNF-UHFFFAOYSA-N
XLogP-0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide?
The IUPAC name of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide (CID 139517074) is 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide.
What is the SMILES notation for 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide?
The canonical SMILES for 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide is NC(=O)CCCNC(=O)CCN1CCCCC1=O.
What is the InChIKey of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide?
The InChIKey is OCDJQXVCCXNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-10(16)4-3-7-14-11(17)6-9-15-8-2-1-5-12(15)18/h1-9H2,(H2,13,16)(H,14,17).
What are the key properties of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide?
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide has a molecular weight of 255.32 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide is sourced from PubChem (CID 139517074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).