N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide

C17H30N2O2 — CID 79538902

IUPACN-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C17H30N2O2/c1-3-4-11-18-17(21)13(2)19-12-6-5-9-15(19)14-8-7-10-16(14)20/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyALHAWOSTOMOYDU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.51
Rot. Bonds6

About N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide

N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide (PubChem CID 79538902) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
PubChem CID79538902
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCCC1C1CCCC1=O
InChIInChI=1S/C17H30N2O2/c1-3-4-11-18-17(21)13(2)19-12-6-5-9-15(19)14-8-7-10-16(14)20/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyALHAWOSTOMOYDU-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.51
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

N-ethyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79545380
N-butan-2-yl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79537615
2-[2-(2-oxocyclopentyl)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 79544722
N-butan-2-yl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79543793
2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
CID 79553334
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79546445
ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
CID 79546859
N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79544175
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide (CID 79538902) is N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCCCC1C1CCCC1=O.
What is the InChIKey of N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide?
The InChIKey is ALHAWOSTOMOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-4-11-18-17(21)13(2)19-12-6-5-9-15(19)14-8-7-10-16(14)20/h13-15H,3-12H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide?
N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide has a molecular weight of 294.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 79538902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).