2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide

C19H21ClN4O3 — CID 110079451

IUPAC2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2cccc(Cl)c2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C19H21ClN4O3/c20-14-3-1-4-15(9-14)27-13-19(10-17(21)25)5-2-8-24(12-19)18(26)16-11-22-6-7-23-16/h1,3-4,6-7,9,11H,2,5,8,10,12-13H2,(H2,21,25)
InChIKeyBRGDNEVXECTGDM-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.31
Rot. Bonds6

About 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide

2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 110079451) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID110079451
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2cccc(Cl)c2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C19H21ClN4O3/c20-14-3-1-4-15(9-14)27-13-19(10-17(21)25)5-2-8-24(12-19)18(26)16-11-22-6-7-23-16/h1,3-4,6-7,9,11H,2,5,8,10,12-13H2,(H2,21,25)
InChIKeyBRGDNEVXECTGDM-UHFFFAOYSA-N
XLogP2.31
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide
CID 110164885
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[2-(3-fluorophenoxy)acetyl]piperidin-3-yl]acetamide
CID 124962740
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-3-yl]acetamide
CID 124956229
2-[3-[(3-chlorophenoxy)methyl]-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]acetamide
CID 110079431
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 125010812
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 125000182
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124966929
2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide
CID 110080193
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 125003520
2-[3-[(3-chlorophenoxy)methyl]-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110078064
2-[3-[(3-chlorophenoxy)methyl]-1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 110079621

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide (CID 110079451) is 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide is NC(=O)CC1(COc2cccc(Cl)c2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is BRGDNEVXECTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c20-14-3-1-4-15(9-14)27-13-19(10-17(21)25)5-2-8-24(12-19)18(26)16-11-22-6-7-23-16/h1,3-4,6-7,9,11H,2,5,8,10,12-13H2,(H2,21,25).
What are the key properties of 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide?
2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 388.86 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenoxy)methyl]-1-(pyrazine-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110079451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).