1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one

C22H24N4O2 — CID 172887397

IUPAC1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)C2(c3cnccn3)CC2)C(Cc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-2-20(27)25-12-13-26(18(16-25)14-17-6-4-3-5-7-17)21(28)22(8-9-22)19-15-23-10-11-24-19/h2-7,10-11,15,18H,1,8-9,12-14,16H2
InChIKeyLNWAFBDIXPSSPS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.98
Rot. Bonds5

About 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one

1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 172887397) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID172887397
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)C2(c3cnccn3)CC2)C(Cc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-2-20(27)25-12-13-26(18(16-25)14-17-6-4-3-5-7-17)21(28)22(8-9-22)19-15-23-10-11-24-19/h2-7,10-11,15,18H,1,8-9,12-14,16H2
InChIKeyLNWAFBDIXPSSPS-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-benzyl-4-(4-pyrrolidin-1-ylpyridine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172888203
1-[(2S)-2-benzyl-4-(5-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172888204
1-[3-benzyl-4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172895728
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
CID 110477513
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
2-benzyl-4-[1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonyl]piperazine-1-carboxylic acid
CID 67338817
1-[3-fluoro-3-(pyrazin-2-ylmethyl)azetidin-1-yl]prop-2-en-1-one
CID 140960095
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
1-[4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 15645960
(E)-1-(3-benzylpyrrolidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 75407724
N-[(3R)-4,4-difluoro-1-prop-2-enoylpiperidin-3-yl]-1-phenylmethanesulfonamide
CID 172887668

Frequently Asked Questions

What is the IUPAC name of 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one (CID 172887397) is 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C(=O)C2(c3cnccn3)CC2)C(Cc2ccccc2)C1.
What is the InChIKey of 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is LNWAFBDIXPSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-20(27)25-12-13-26(18(16-25)14-17-6-4-3-5-7-17)21(28)22(8-9-22)19-15-23-10-11-24-19/h2-7,10-11,15,18H,1,8-9,12-14,16H2.
What are the key properties of 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one?
1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 376.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-benzyl-4-(1-pyrazin-2-ylcyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 172887397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).