N-butyl-2-(4-oxopiperidin-1-yl)propanamide

C12H22N2O2 — CID 43112432

IUPACN-butyl-2-(4-oxopiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-4-7-13-12(16)10(2)14-8-5-11(15)6-9-14/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyFKFQAJKHUDZKNG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.96
Rot. Bonds5

About N-butyl-2-(4-oxopiperidin-1-yl)propanamide

N-butyl-2-(4-oxopiperidin-1-yl)propanamide (PubChem CID 43112432) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-butyl-2-(4-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-oxopiperidin-1-yl)propanamide
PubChem CID43112432
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-butyl-2-(4-oxopiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-4-7-13-12(16)10(2)14-8-5-11(15)6-9-14/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyFKFQAJKHUDZKNG-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-oxopiperidin-1-yl)propanoylamino]acetic acid
CID 82041088
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-(4-hydroxyiminopiperidin-1-yl)-N-propylpropanamide
CID 43117218
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
CID 107160660
4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124499
3-[4-[1-(butylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522452
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728829
N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 103993891
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(4-oxopiperidin-1-yl)propanamide (CID 43112432) is N-butyl-2-(4-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(4-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(4-oxopiperidin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCC(=O)CC1.
What is the InChIKey of N-butyl-2-(4-oxopiperidin-1-yl)propanamide?
The InChIKey is FKFQAJKHUDZKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-7-13-12(16)10(2)14-8-5-11(15)6-9-14/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-2-(4-oxopiperidin-1-yl)propanamide?
N-butyl-2-(4-oxopiperidin-1-yl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 43112432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).