4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one

C16H24N4O — CID 80638580

IUPAC4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ncc(CNC2CC2)cc1C
InChIInChI=1S/C16H24N4O/c1-3-14-16(21)17-6-7-20(14)15-11(2)8-12(10-19-15)9-18-13-4-5-13/h8,10,13-14,18H,3-7,9H2,1-2H3,(H,17,21)
InChIKeyCBKVKTPFAUSDOB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.36
Rot. Bonds5

About 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one

4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one (PubChem CID 80638580) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one
PubChem CID80638580
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ncc(CNC2CC2)cc1C
InChIInChI=1S/C16H24N4O/c1-3-14-16(21)17-6-7-20(14)15-11(2)8-12(10-19-15)9-18-13-4-5-13/h8,10,13-14,18H,3-7,9H2,1-2H3,(H,17,21)
InChIKeyCBKVKTPFAUSDOB-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one (CID 80638580) is 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1ncc(CNC2CC2)cc1C.
What is the InChIKey of 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one?
The InChIKey is CBKVKTPFAUSDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-14-16(21)17-6-7-20(14)15-11(2)8-12(10-19-15)9-18-13-4-5-13/h8,10,13-14,18H,3-7,9H2,1-2H3,(H,17,21).
What are the key properties of 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one?
4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 80638580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).