[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone

C18H19N3O2 — CID 38175380

IUPAC[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESCc1cnc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C18H19N3O2/c1-13-11-20-16(12-19-13)18(23)21-9-7-15(8-10-21)17(22)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3
InChIKeyGVKJJEJWFCUWDP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.52
Rot. Bonds3

About [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone

[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone (PubChem CID 38175380) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
PubChem CID38175380
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESCc1cnc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C18H19N3O2/c1-13-11-20-16(12-19-13)18(23)21-9-7-15(8-10-21)17(22)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3
InChIKeyGVKJJEJWFCUWDP-UHFFFAOYSA-N
XLogP2.52
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 56778576
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013

Frequently Asked Questions

What is the IUPAC name of [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone (CID 38175380) is [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone is Cc1cnc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is GVKJJEJWFCUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-11-20-16(12-19-13)18(23)21-9-7-15(8-10-21)17(22)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10H2,1H3.
What are the key properties of [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone?
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 309.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 38175380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).