1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one

C23H32N4O3 — CID 10811627

IUPAC1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
InChIInChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)17-20-15-19(24-30-20)16-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3
InChIKeyDXYQOKKQRDKQCQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.30
Rot. Bonds7

About 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one

1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one (PubChem CID 10811627) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one
PubChem CID10811627
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
InChIInChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)17-20-15-19(24-30-20)16-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3
InChIKeyDXYQOKKQRDKQCQ-UHFFFAOYSA-N
XLogP3.30
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

4-(4-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 842091
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 10318686
{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-yl}-methanol
CID 10640259
1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-5-ylmethyl}-piperidin-2-one
CID 12134986
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093741
4-Chloro-3-methylisoxazol-5-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 17095613
(5-Cyclopropylisoxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazino]piperidino]methanone
CID 24817408
1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-azepan-2-one
CID 44318075
1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-piperidin-2-one
CID 44460423
1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 44460477
1-[[5-[[4-(2-Propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one;hydrochloride
CID 45265064
3,5-Dimethylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 2741374

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one (CID 10811627) is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1.
What is the InChIKey of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one?
The InChIKey is DXYQOKKQRDKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)17-20-15-19(24-30-20)16-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3.
What are the key properties of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one?
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one has a molecular weight of 412.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]piperidin-2-one is sourced from PubChem (CID 10811627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).