2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C18H21ClN4O2 — CID 95821102

IUPAC2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(c3cncc(Cl)n3)CC2)cc1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-4-2-14(3-5-15)21-18(24)12-23-8-6-13(7-9-23)16-10-20-11-17(19)22-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,24)
InChIKeyICKBKUOERNVQQP-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 95821102) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID95821102
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(c3cncc(Cl)n3)CC2)cc1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-4-2-14(3-5-15)21-18(24)12-23-8-6-13(7-9-23)16-10-20-11-17(19)22-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,24)
InChIKeyICKBKUOERNVQQP-UHFFFAOYSA-N
XLogP2.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 92617154
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
N-(4-methoxyphenyl)-2-(4-methylidenepiperidin-1-yl)acetamide
CID 172904356
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 95821102) is 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(c3cncc(Cl)n3)CC2)cc1.
What is the InChIKey of 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ICKBKUOERNVQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-15-4-2-14(3-5-15)21-18(24)12-23-8-6-13(7-9-23)16-10-20-11-17(19)22-16/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,24).
What are the key properties of 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 360.85 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyrazin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 95821102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).