N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide

C13H24N2O2 — CID 108942380

IUPACN-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)CCNC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)6-7-14-12(16)10-13(17)15-8-4-3-5-9-15/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyVURPBVGNOAHVIK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds5

About N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide

N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108942380) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108942380
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)CCNC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)6-7-14-12(16)10-13(17)15-8-4-3-5-9-15/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyVURPBVGNOAHVIK-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 110312214
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
1-ethyl-3-(3-methylbutyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110977508
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide
CID 83015118
2-(3-methylbutylsulfanyl)-1-piperidin-1-ylethanone
CID 146333641
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide (CID 108942380) is N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide is CC(C)CCNC(=O)CC(=O)N1CCCCC1.
What is the InChIKey of N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is VURPBVGNOAHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)6-7-14-12(16)10-13(17)15-8-4-3-5-9-15/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide?
N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108942380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).