[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C20H25ClN4O2 — CID 24791456

IUPAC[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)no1
InChIInChI=1S/C20H25ClN4O2/c1-15-12-19(22-27-15)20(26)25-7-3-6-18(14-25)24-10-8-23(9-11-24)17-5-2-4-16(21)13-17/h2,4-5,12-13,18H,3,6-11,14H2,1H3
InChIKeyYFMHKQUBOLUZPH-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.06
Rot. Bonds3

About [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 24791456) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID24791456
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)no1
InChIInChI=1S/C20H25ClN4O2/c1-15-12-19(22-27-15)20(26)25-7-3-6-18(14-25)24-10-8-23(9-11-24)17-5-2-4-16(21)13-17/h2,4-5,12-13,18H,3,6-11,14H2,1H3
InChIKeyYFMHKQUBOLUZPH-UHFFFAOYSA-N
XLogP3.06
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 24791456) is [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)no1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YFMHKQUBOLUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-15-12-19(22-27-15)20(26)25-7-3-6-18(14-25)24-10-8-23(9-11-24)17-5-2-4-16(21)13-17/h2,4-5,12-13,18H,3,6-11,14H2,1H3.
What are the key properties of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 388.90 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 24791456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).