4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one

C17H28N4O — CID 119048688

IUPAC4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1Cc1ccc(N(C)C(C)C)nc1
InChIInChI=1S/C17H28N4O/c1-5-6-15-17(22)18-9-10-21(15)12-14-7-8-16(19-11-14)20(4)13(2)3/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3,(H,18,22)
InChIKeyTZFFQDAWEQJZTG-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.03
Rot. Bonds6

About 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one

4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one (PubChem CID 119048688) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
PubChem CID119048688
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1Cc1ccc(N(C)C(C)C)nc1
InChIInChI=1S/C17H28N4O/c1-5-6-15-17(22)18-9-10-21(15)12-14-7-8-16(19-11-14)20(4)13(2)3/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3,(H,18,22)
InChIKeyTZFFQDAWEQJZTG-UHFFFAOYSA-N
XLogP2.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one?
The IUPAC name of 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one (CID 119048688) is 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one.
What is the SMILES notation for 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one?
The canonical SMILES for 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one is CCCC1C(=O)NCCN1Cc1ccc(N(C)C(C)C)nc1.
What is the InChIKey of 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one?
The InChIKey is TZFFQDAWEQJZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-5-6-15-17(22)18-9-10-21(15)12-14-7-8-16(19-11-14)20(4)13(2)3/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3,(H,18,22).
What are the key properties of 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one?
4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one has a molecular weight of 304.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one is sourced from PubChem (CID 119048688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).