[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone

C18H22N4O2 — CID 87053000

IUPAC[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-2-24-17-16(19-10-11-20-17)21-15-8-12-22(13-9-15)18(23)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,19,21)
InChIKeyQBJPVGLVSTUCDM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.59
Rot. Bonds5

About [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone (PubChem CID 87053000) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
PubChem CID87053000
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-2-24-17-16(19-10-11-20-17)21-15-8-12-22(13-9-15)18(23)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,19,21)
InChIKeyQBJPVGLVSTUCDM-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 87053011
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
3-ethoxy-N-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 87053008
1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53185557
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
ethyl (E)-3-[6-[(1-benzoylpiperidin-4-yl)amino]-3-pyridinyl]prop-2-enoate
CID 86603645
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone (CID 87053000) is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone is CCOc1nccnc1NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is QBJPVGLVSTUCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-17-16(19-10-11-20-17)21-15-8-12-22(13-9-15)18(23)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,19,21).
What are the key properties of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone?
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 87053000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).