[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C16H22ClN3O2 — CID 889824

IUPAC[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-13-2-3-14(12-15(13)17)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3
InChIKeyAONVBOWAJRDRRB-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.22
Rot. Bonds1

About [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 889824) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID889824
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-13-2-3-14(12-15(13)17)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3
InChIKeyAONVBOWAJRDRRB-UHFFFAOYSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-Chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
CID 976980
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
3-(3-Chlorophenyl)-1-[1-(2-fluorophenyl)but-3-enyl]-1-(2-morpholin-4-ylethyl)urea
CID 4439884
N-(3-chloro-4-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 846437
N-(3-chloro-4-methylphenyl)-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 57656640
[4-(4-Methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 57819796
1-(3-Chlorobenzyl)-3-(3-chlorophenyl)-1-[2-(morpholin-4-yl)ethyl]urea
CID 663875
3-(3-Chlorophenyl)-1-(2-fluorobenzyl)-1-[3-(morpholin-4-yl)propyl]urea
CID 664634
(4-(2,4-Dimethylphenyl)piperazin-1-yl)(morpholino)methanone
CID 888848
1-(3-Chloro-4-methylphenyl)-4-(1-pyrrolidinylcarbonyl)piperazine
CID 971957
4-(4-Ethylphenyl)piperazinyl morpholin-4-yl ketone
CID 977118
Morpholin-4-yl-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 73671438

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 889824) is [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is AONVBOWAJRDRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-13-2-3-14(12-15(13)17)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3.
What are the key properties of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 323.82 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 889824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).