1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone

C21H28N4O2 — CID 167981061

IUPAC1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(-c3ccn(C4CCOCC4)n3)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-17(26)24-11-9-23(10-12-24)16-18-3-2-4-19(15-18)21-5-8-25(22-21)20-6-13-27-14-7-20/h2-5,8,15,20H,6-7,9-14,16H2,1H3
InChIKeyHPEJPRXMWZJHPY-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone

1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 167981061) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID167981061
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc(-c3ccn(C4CCOCC4)n3)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-17(26)24-11-9-23(10-12-24)16-18-3-2-4-19(15-18)21-5-8-25(22-21)20-6-13-27-14-7-20/h2-5,8,15,20H,6-7,9-14,16H2,1H3
InChIKeyHPEJPRXMWZJHPY-UHFFFAOYSA-N
XLogP2.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 136571992
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 168965076
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
1-[4-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 176777487
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176500860
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone (CID 167981061) is 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cccc(-c3ccn(C4CCOCC4)n3)c2)CC1.
What is the InChIKey of 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is HPEJPRXMWZJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17(26)24-11-9-23(10-12-24)16-18-3-2-4-19(15-18)21-5-8-25(22-21)20-6-13-27-14-7-20/h2-5,8,15,20H,6-7,9-14,16H2,1H3.
What are the key properties of 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 167981061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).