2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide

C12H18N2O2 — CID 104787809

IUPAC2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C12H18N2O2/c13-12(16)7-9-3-5-14(6-4-9)10-1-2-11(15)8-10/h8-9H,1-7H2,(H2,13,16)
InChIKeyQWGBXVFMXRABSV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.82
Rot. Bonds3

About 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide

2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide (PubChem CID 104787809) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide
PubChem CID104787809
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C12H18N2O2/c13-12(16)7-9-3-5-14(6-4-9)10-1-2-11(15)8-10/h8-9H,1-7H2,(H2,13,16)
InChIKeyQWGBXVFMXRABSV-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2-(3-Oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 122442435
(Z)-4-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]-6,7-dioxooct-4-enamide
CID 145578454
5-Methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 153826878
2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
CID 92601875
3-[(Piperidin-4-ylmethyl)amino]cyclopent-2-en-1-one
CID 94830330
N-[[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]methyl]acetamide
CID 102736449
N-methyl-1-(3-oxocyclopenten-1-yl)piperidine-3-carboxamide
CID 103196317

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide (CID 104787809) is 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C2=CC(=O)CC2)CC1.
What is the InChIKey of 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide?
The InChIKey is QWGBXVFMXRABSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12(16)7-9-3-5-14(6-4-9)10-1-2-11(15)8-10/h8-9H,1-7H2,(H2,13,16).
What are the key properties of 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide?
2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-oxocyclopenten-1-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 104787809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).