2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

C22H30N4O — CID 72881733

IUPAC2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(C(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)N(C)C)c1
InChIInChI=1S/C22H30N4O/c1-16-7-6-8-19(13-16)21(24(4)5)22(27)26-11-9-25(10-12-26)20-14-17(2)23-18(3)15-20/h6-8,13-15,21H,9-12H2,1-5H3
InChIKeyDODGMVKPXOUMSY-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.96
Rot. Bonds4

About 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 72881733) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID72881733
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(C(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)N(C)C)c1
InChIInChI=1S/C22H30N4O/c1-16-7-6-8-19(13-16)21(24(4)5)22(27)26-11-9-25(10-12-26)20-14-17(2)23-18(3)15-20/h6-8,13-15,21H,9-12H2,1-5H3
InChIKeyDODGMVKPXOUMSY-UHFFFAOYSA-N
XLogP2.96
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95123507
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
6-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97197313
2-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110613117
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97202274
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 97125402
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
CID 95719715

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 72881733) is 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(C(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is DODGMVKPXOUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-7-6-8-19(13-16)21(24(4)5)22(27)26-11-9-25(10-12-26)20-14-17(2)23-18(3)15-20/h6-8,13-15,21H,9-12H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 72881733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).