[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

C20H26N4O2 — CID 110116964

IUPAC[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1
InChIInChI=1S/C20H26N4O2/c1-23(2)14-17-19(22-11-10-21-17)15-8-12-24(13-9-15)20(25)16-6-4-5-7-18(16)26-3/h4-7,10-11,15H,8-9,12-14H2,1-3H3
InChIKeyOCJOZXWYKFEAPP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.57
Rot. Bonds5

About [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 110116964) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID110116964
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1
InChIInChI=1S/C20H26N4O2/c1-23(2)14-17-19(22-11-10-21-17)15-8-12-24(13-9-15)20(25)16-6-4-5-7-18(16)26-3/h4-7,10-11,15H,8-9,12-14H2,1-3H3
InChIKeyOCJOZXWYKFEAPP-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110116957
(2-methoxyphenyl)-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 129477579
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 110116964) is [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2nccnc2CN(C)C)CC1.
What is the InChIKey of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is OCJOZXWYKFEAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)14-17-19(22-11-10-21-17)15-8-12-24(13-9-15)20(25)16-6-4-5-7-18(16)26-3/h4-7,10-11,15H,8-9,12-14H2,1-3H3.
What are the key properties of [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110116964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).