1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C18H24N4O3 — CID 110814030

IUPAC1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1
InChIInChI=1S/C18H24N4O3/c1-14(23)20-8-5-15(6-9-20)17(24)21-10-12-22(13-11-21)18(25)16-4-2-3-7-19-16/h2-4,7,15H,5-6,8-13H2,1H3
InChIKeyFUSSXMUKSXLHCB-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.62
Rot. Bonds2

About 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110814030) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110814030
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1
InChIInChI=1S/C18H24N4O3/c1-14(23)20-8-5-15(6-9-20)17(24)21-10-12-22(13-11-21)18(25)16-4-2-3-7-19-16/h2-4,7,15H,5-6,8-13H2,1H3
InChIKeyFUSSXMUKSXLHCB-UHFFFAOYSA-N
XLogP0.62
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Saruparib
CID 155586901
Lsn2463359
CID 72551298
Kdoam-25
CID 91810435
Piberaline
CID 65975
Piperazine carbamate/urea derivative 3
CID 89487899
(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone
CID 70789094
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
Piperazine-1,4-diylbis(pyridin-2-ylmethanone)
CID 258989
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
Diquat metabolite
CID 86209565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 110814030) is 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is FUSSXMUKSXLHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14(23)20-8-5-15(6-9-20)17(24)21-10-12-22(13-11-21)18(25)16-4-2-3-7-19-16/h2-4,7,15H,5-6,8-13H2,1H3.
What are the key properties of 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 344.41 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110814030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).