1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one

C14H21N3O — CID 17217518

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-2-3-7-14(18)17-11-9-16(10-12-17)13-6-4-5-8-15-13/h4-6,8H,2-3,7,9-12H2,1H3
InChIKeyBPGVLZKAECSIGC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one

1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 17217518) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID17217518
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-2-3-7-14(18)17-11-9-16(10-12-17)13-6-4-5-8-15-13/h4-6,8H,2-3,7,9-12H2,1H3
InChIKeyBPGVLZKAECSIGC-UHFFFAOYSA-N
XLogP1.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one (CID 17217518) is 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one is CCCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is BPGVLZKAECSIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-7-14(18)17-11-9-16(10-12-17)13-6-4-5-8-15-13/h4-6,8H,2-3,7,9-12H2,1H3.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one?
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 17217518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).