5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one

C16H23N3O2 — CID 110730655

IUPAC5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=C(C1CCCC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H23N3O2/c20-15-6-5-13(11-17-15)12-18-7-9-19(10-8-18)16(21)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2,(H,17,20)
InChIKeyHXPTXMDBQZSXRG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds3

About 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one

5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 110730655) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID110730655
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=C(C1CCCC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H23N3O2/c20-15-6-5-13(11-17-15)12-18-7-9-19(10-8-18)16(21)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2,(H,17,20)
InChIKeyHXPTXMDBQZSXRG-UHFFFAOYSA-N
XLogP1.21
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735913
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110748813
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
5-[[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 110730705
cyclopentyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23969373
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
cyclopentyl-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 23854345
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077328

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one (CID 110730655) is 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one is O=C(C1CCCC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is HXPTXMDBQZSXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-6-5-13(11-17-15)12-18-7-9-19(10-8-18)16(21)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2,(H,17,20).
What are the key properties of 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 110730655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).