1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one

C17H27N3O2 — CID 161072812

IUPAC1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one
SMILESCC(C)c1ccc(N2CCN(CCCC(=O)CO)CC2)cn1
InChIInChI=1S/C17H27N3O2/c1-14(2)17-6-5-15(12-18-17)20-10-8-19(9-11-20)7-3-4-16(22)13-21/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3
InChIKeyNZKNNFBRZVEQGN-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.67
Rot. Bonds7

About 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one

1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one (PubChem CID 161072812) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one.

Molecular Properties

Compound Name1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one
PubChem CID161072812
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one
SMILESCC(C)c1ccc(N2CCN(CCCC(=O)CO)CC2)cn1
InChIInChI=1S/C17H27N3O2/c1-14(2)17-6-5-15(12-18-17)20-10-8-19(9-11-20)7-3-4-16(22)13-21/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3
InChIKeyNZKNNFBRZVEQGN-UHFFFAOYSA-N
XLogP1.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one?
The IUPAC name of 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one (CID 161072812) is 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one.
What is the SMILES notation for 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one?
The canonical SMILES for 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one is CC(C)c1ccc(N2CCN(CCCC(=O)CO)CC2)cn1.
What is the InChIKey of 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one?
The InChIKey is NZKNNFBRZVEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)17-6-5-15(12-18-17)20-10-8-19(9-11-20)7-3-4-16(22)13-21/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3.
What are the key properties of 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one?
1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one is sourced from PubChem (CID 161072812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).