3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one

C18H22Cl2N4O — CID 133453509

IUPAC3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1=O
InChIInChI=1S/C18H22Cl2N4O/c1-2-24-8-5-21-17(18(24)25)22-16-3-6-23(7-4-16)12-13-9-14(19)11-15(20)10-13/h5,8-11,16H,2-4,6-7,12H2,1H3,(H,21,22)
InChIKeyQCDJAOPVJNDRFB-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.65
Rot. Bonds5

About 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one

3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one (PubChem CID 133453509) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
PubChem CID133453509
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1=O
InChIInChI=1S/C18H22Cl2N4O/c1-2-24-8-5-21-17(18(24)25)22-16-3-6-23(7-4-16)12-13-9-14(19)11-15(20)10-13/h5,8-11,16H,2-4,6-7,12H2,1H3,(H,21,22)
InChIKeyQCDJAOPVJNDRFB-UHFFFAOYSA-N
XLogP3.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 59293572
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
CID 124515152
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133453551
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
CID 62927230
N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 133453504
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
CID 62939189
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one (CID 133453509) is 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one is CCn1ccnc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c1=O.
What is the InChIKey of 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
The InChIKey is QCDJAOPVJNDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-2-24-8-5-21-17(18(24)25)22-16-3-6-23(7-4-16)12-13-9-14(19)11-15(20)10-13/h5,8-11,16H,2-4,6-7,12H2,1H3,(H,21,22).
What are the key properties of 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one has a molecular weight of 381.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 133453509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).