[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone

C15H23N3O — CID 82302377

IUPAC[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2cccc(N(C)C)c2)C1C
InChIInChI=1S/C15H23N3O/c1-11-12(2)18(9-8-16-11)15(19)13-6-5-7-14(10-13)17(3)4/h5-7,10-12,16H,8-9H2,1-4H3
InChIKeyDZPDOANABBQPFP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds2

About [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone

[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 82302377) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID82302377
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2cccc(N(C)C)c2)C1C
InChIInChI=1S/C15H23N3O/c1-11-12(2)18(9-8-16-11)15(19)13-6-5-7-14(10-13)17(3)4/h5-7,10-12,16H,8-9H2,1-4H3
InChIKeyDZPDOANABBQPFP-UHFFFAOYSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
3-(2,3-dimethylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 120569496
(3-cyclopentyloxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571016
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120570628

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 82302377) is [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2cccc(N(C)C)c2)C1C.
What is the InChIKey of [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is DZPDOANABBQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-12(2)18(9-8-16-11)15(19)13-6-5-7-14(10-13)17(3)4/h5-7,10-12,16H,8-9H2,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82302377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).