[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone

C17H25N3O2 — CID 174835880

IUPAC[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(CN2CCNCC2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-10-15(13-19-4-2-18-3-5-19)12-16(11-14)17(21)20-6-8-22-9-7-20/h10-12,18H,2-9,13H2,1H3
InChIKeyKARWHKQSMXJNAV-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.87
Rot. Bonds3

About [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone

[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 174835880) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone
PubChem CID174835880
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(CN2CCNCC2)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-10-15(13-19-4-2-18-3-5-19)12-16(11-14)17(21)20-6-8-22-9-7-20/h10-12,18H,2-9,13H2,1H3
InChIKeyKARWHKQSMXJNAV-UHFFFAOYSA-N
XLogP0.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
1-[(3-methyl-5-nitrophenyl)methyl]piperazine
CID 82510494
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
1,4-diazepan-1-yl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119416822

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone (CID 174835880) is [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone is Cc1cc(CN2CCNCC2)cc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KARWHKQSMXJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-10-15(13-19-4-2-18-3-5-19)12-16(11-14)17(21)20-6-8-22-9-7-20/h10-12,18H,2-9,13H2,1H3.
What are the key properties of [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone?
[3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(piperazin-1-ylmethyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 174835880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).