N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide

C13H20N2O2 — CID 102736449

IUPACN-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(16)14-9-11-4-6-15(7-5-11)12-2-3-13(17)8-12/h8,11H,2-7,9H2,1H3,(H,14,16)
InChIKeyZKPNIIDOWVEISC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds3

About N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736449) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide
PubChem CID102736449
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(16)14-9-11-4-6-15(7-5-11)12-2-3-13(17)8-12/h8,11H,2-7,9H2,1H3,(H,14,16)
InChIKeyZKPNIIDOWVEISC-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-propyl]-pyrrolidin-2-one
CID 654050
1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
CID 8003265
1-(5,5,5-Trifluoro-4-oxopent-2-en-2-yl)piperidine-4-carboxamide
CID 72067070
N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide
CID 156560031
1-[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
CID 16254222
1-(4,5-Dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)piperidine-4-carboxamide
CID 172640314
3-(4-Acetylpiperidin-1-yl)cyclopent-2-en-1-one
CID 58356035
1-Methyl-6-(piperidine-4-carbonyl)pyridin-2-one
CID 67993127
6-[3-[4-(Methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,2-dihydropyridazine-3,4-dione
CID 117693562
3-(5,6-dioxo-1,2-dihydropyridazin-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 117693642
2-(3-Oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 122442435
2-(3-Oxo-1-cyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122452766

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide (CID 102736449) is N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C2=CC(=O)CC2)CC1.
What is the InChIKey of N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is ZKPNIIDOWVEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)14-9-11-4-6-15(7-5-11)12-2-3-13(17)8-12/h8,11H,2-7,9H2,1H3,(H,14,16).
What are the key properties of N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).