[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone

C21H27N5O — CID 119059947

IUPAC[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
SMILESCN1CCC(N2CCN(C(=O)c3ccc(-c4cnccn4)cc3)CC2)CC1
InChIInChI=1S/C21H27N5O/c1-24-10-6-19(7-11-24)25-12-14-26(15-13-25)21(27)18-4-2-17(3-5-18)20-16-22-8-9-23-20/h2-5,8-9,16,19H,6-7,10-15H2,1H3
InChIKeyRXZWLWYBAXGSLU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.00
Rot. Bonds3

About [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone

[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone (PubChem CID 119059947) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
PubChem CID119059947
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
SMILESCN1CCC(N2CCN(C(=O)c3ccc(-c4cnccn4)cc3)CC2)CC1
InChIInChI=1S/C21H27N5O/c1-24-10-6-19(7-11-24)25-12-14-26(15-13-25)21(27)18-4-2-17(3-5-18)20-16-22-8-9-23-20/h2-5,8-9,16,19H,6-7,10-15H2,1H3
InChIKeyRXZWLWYBAXGSLU-UHFFFAOYSA-N
XLogP2.00
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 58716618
6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 44539765
(4-chlorophenyl)-[4-(1-pyrazin-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 143256088
5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186536
(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 143049045
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119071153
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone?
The IUPAC name of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone (CID 119059947) is [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone.
What is the SMILES notation for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone?
The canonical SMILES for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone is CN1CCC(N2CCN(C(=O)c3ccc(-c4cnccn4)cc3)CC2)CC1.
What is the InChIKey of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone?
The InChIKey is RXZWLWYBAXGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-10-6-19(7-11-24)25-12-14-26(15-13-25)21(27)18-4-2-17(3-5-18)20-16-22-8-9-23-20/h2-5,8-9,16,19H,6-7,10-15H2,1H3.
What are the key properties of [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone?
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone is sourced from PubChem (CID 119059947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).