1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one

C22H31N5O — CID 74376083

IUPAC1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one
SMILESCN(C)CCn1ccnc(NC2CCN(CC=Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C22H31N5O/c1-25(2)17-18-27-16-12-23-21(22(27)28)24-20-10-14-26(15-11-20)13-6-9-19-7-4-3-5-8-19/h3-9,12,16,20H,10-11,13-15,17-18H2,1-2H3,(H,23,24)
InChIKeyJESYMMLFYGMNMJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one

1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one (PubChem CID 74376083) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one
PubChem CID74376083
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one
SMILESCN(C)CCn1ccnc(NC2CCN(CC=Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C22H31N5O/c1-25(2)17-18-27-16-12-23-21(22(27)28)24-20-10-14-26(15-11-20)13-6-9-19-7-4-3-5-8-19/h3-9,12,16,20H,10-11,13-15,17-18H2,1-2H3,(H,23,24)
InChIKeyJESYMMLFYGMNMJ-UHFFFAOYSA-N
XLogP2.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 59293572
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202
1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494159
2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
CID 24895862
3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one
CID 24969366
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180
2-[4-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 63625920
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
3-[2-(dimethylamino)ethyl]-8-[(E)-3-phenylprop-2-enyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776070
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
N-[[4-[[3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-2-oxopyrazin-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide;sulfane
CID 143565172
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
CID 66569637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one (CID 74376083) is 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one is CN(C)CCn1ccnc(NC2CCN(CC=Cc3ccccc3)CC2)c1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one?
The InChIKey is JESYMMLFYGMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-25(2)17-18-27-16-12-23-21(22(27)28)24-20-10-14-26(15-11-20)13-6-9-19-7-4-3-5-8-19/h3-9,12,16,20H,10-11,13-15,17-18H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one?
1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one has a molecular weight of 381.52 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one is sourced from PubChem (CID 74376083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).