4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one

C11H16N4O — CID 104540385

IUPAC4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1cccnc1N
InChIInChI=1S/C11H16N4O/c1-2-8-11(16)14-6-7-15(8)9-4-3-5-13-10(9)12/h3-5,8H,2,6-7H2,1H3,(H2,12,13)(H,14,16)
InChIKeyXXMHKOLQUDPZQY-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.38
Rot. Bonds2

About 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one

4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one (PubChem CID 104540385) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
PubChem CID104540385
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1cccnc1N
InChIInChI=1S/C11H16N4O/c1-2-8-11(16)14-6-7-15(8)9-4-3-5-13-10(9)12/h3-5,8H,2,6-7H2,1H3,(H2,12,13)(H,14,16)
InChIKeyXXMHKOLQUDPZQY-UHFFFAOYSA-N
XLogP0.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
2-amino-3-(2-ethyl-3-oxopiperazin-1-yl)benzamide
CID 113332983
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
4-[4-amino-2-(difluoromethyl)phenyl]-3-ethylpiperazin-2-one
CID 55229272
2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79519495
4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63602695
3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
CID 63602572
4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one
CID 107926218
4-(2-amino-4-fluoro-5-methylphenyl)-3-ethylpiperazin-2-one
CID 103590402
3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile
CID 114287581

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one (CID 104540385) is 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1cccnc1N.
What is the InChIKey of 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one?
The InChIKey is XXMHKOLQUDPZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-8-11(16)14-6-7-15(8)9-4-3-5-13-10(9)12/h3-5,8H,2,6-7H2,1H3,(H2,12,13)(H,14,16).
What are the key properties of 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one?
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 104540385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).