2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C19H27N3O3 — CID 17441973

IUPAC2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-15-11-16(2)13-17(12-15)19(24)22-5-3-20(4-6-22)14-18(23)21-7-9-25-10-8-21/h11-13H,3-10,14H2,1-2H3
InChIKeyPGWWCOZKTGTADD-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.92
Rot. Bonds3

About 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 17441973) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID17441973
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-15-11-16(2)13-17(12-15)19(24)22-5-3-20(4-6-22)14-18(23)21-7-9-25-10-8-21/h11-13H,3-10,14H2,1-2H3
InChIKeyPGWWCOZKTGTADD-UHFFFAOYSA-N
XLogP0.92
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 129368099
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone
CID 174835880
2-[4-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78840802
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 97433144
2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78828494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 17441973) is 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone is Cc1cc(C)cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is PGWWCOZKTGTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-11-16(2)13-17(12-15)19(24)22-5-3-20(4-6-22)14-18(23)21-7-9-25-10-8-21/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 345.44 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 17441973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).