(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide

C18H23N5O — CID 99855050

IUPAC(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1cnc(C)c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-12-20-14(2)18(21-13)23-10-8-22(9-11-23)16(17(19)24)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H2,19,24)/t16-/m0/s1
InChIKeyAHGRAKPRFZEJBG-INIZCTEOSA-N
MW325.42 g/mol
LogP1.44
Rot. Bonds4

About (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide

(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 99855050) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
PubChem CID99855050
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
SMILESCc1cnc(C)c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-12-20-14(2)18(21-13)23-10-8-22(9-11-23)16(17(19)24)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H2,19,24)/t16-/m0/s1
InChIKeyAHGRAKPRFZEJBG-INIZCTEOSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 31256288
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline
CID 60876827
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 31256282
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-[4-(4-amino-5-nitropyrimidin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 60501112
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide (CID 99855050) is (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide is Cc1cnc(C)c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1.
What is the InChIKey of (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is AHGRAKPRFZEJBG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-12-20-14(2)18(21-13)23-10-8-22(9-11-23)16(17(19)24)15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H2,19,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide?
(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 325.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 99855050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).