3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one

C14H22N4O — CID 104534617

IUPAC3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one
SMILESCCCNc1cncc(N2CCNC(=O)C2(C)C)c1
InChIInChI=1S/C14H22N4O/c1-4-5-16-11-8-12(10-15-9-11)18-7-6-17-13(19)14(18,2)3/h8-10,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyWOUILBJBMLMNSV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.62
Rot. Bonds4

About 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one

3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one (PubChem CID 104534617) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one
PubChem CID104534617
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one
SMILESCCCNc1cncc(N2CCNC(=O)C2(C)C)c1
InChIInChI=1S/C14H22N4O/c1-4-5-16-11-8-12(10-15-9-11)18-7-6-17-13(19)14(18,2)3/h8-10,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyWOUILBJBMLMNSV-UHFFFAOYSA-N
XLogP1.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one (CID 104534617) is 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one is CCCNc1cncc(N2CCNC(=O)C2(C)C)c1.
What is the InChIKey of 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one?
The InChIKey is WOUILBJBMLMNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-5-16-11-8-12(10-15-9-11)18-7-6-17-13(19)14(18,2)3/h8-10,16H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one?
3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-(propylamino)-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 104534617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).