2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone

C18H29N5O2 — CID 110102514

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCc1cncc(C2CCCN(C(=O)CN3CCN(CCO)CC3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-15-11-19-12-17(20-15)16-3-2-4-23(13-16)18(25)14-22-7-5-21(6-8-22)9-10-24/h11-12,16,24H,2-10,13-14H2,1H3
InChIKeyPVAXERDWQRZMOU-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.10
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 110102514) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID110102514
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCc1cncc(C2CCCN(C(=O)CN3CCN(CCO)CC3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-15-11-19-12-17(20-15)16-3-2-4-23(13-16)18(25)14-22-7-5-21(6-8-22)9-10-24/h11-12,16,24H,2-10,13-14H2,1H3
InChIKeyPVAXERDWQRZMOU-UHFFFAOYSA-N
XLogP0.10
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124964626
1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 127246140
2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995
3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 124968339
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone (CID 110102514) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone is Cc1cncc(C2CCCN(C(=O)CN3CCN(CCO)CC3)C2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is PVAXERDWQRZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-15-11-19-12-17(20-15)16-3-2-4-23(13-16)18(25)14-22-7-5-21(6-8-22)9-10-24/h11-12,16,24H,2-10,13-14H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110102514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).