1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

C25H31N3O3 — CID 42861510

IUPAC1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESCc1ccccc1C(=O)N1CCOC(CN2CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H31N3O3/c1-20-7-5-6-10-23(20)25(30)28-15-16-31-22(19-28)18-26-11-13-27(14-12-26)24(29)17-21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3
InChIKeyOBMLWEZKBVDWOY-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.22
Rot. Bonds5

About 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 42861510) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID42861510
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESCc1ccccc1C(=O)N1CCOC(CN2CCN(C(=O)Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H31N3O3/c1-20-7-5-6-10-23(20)25(30)28-15-16-31-22(19-28)18-26-11-13-27(14-12-26)24(29)17-21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3
InChIKeyOBMLWEZKBVDWOY-UHFFFAOYSA-N
XLogP2.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861508
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42861895
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
2-(4-methoxyphenyl)-1-[4-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 42861902
2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 35371198
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
2-(1,3-benzodioxol-5-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110802155
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 121054039

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (CID 42861510) is 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is Cc1ccccc1C(=O)N1CCOC(CN2CCN(C(=O)Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is OBMLWEZKBVDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-20-7-5-6-10-23(20)25(30)28-15-16-31-22(19-28)18-26-11-13-27(14-12-26)24(29)17-21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3.
What are the key properties of 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 421.54 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 42861510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).