(4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone

C14H21N3O — CID 2926628

IUPAC(4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone
SMILESCCC(C)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-3-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYPLDWQVOEIZDSM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.64
Rot. Bonds3

About (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone

(4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone (PubChem CID 2926628) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone
PubChem CID2926628
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone
SMILESCCC(C)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-3-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYPLDWQVOEIZDSM-UHFFFAOYSA-N
XLogP1.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone (CID 2926628) is (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone is CCC(C)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is YPLDWQVOEIZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone?
(4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 2926628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).