2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone

C21H34N4O — CID 72931057

IUPAC2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1C(C(=O)N1CCN(CCN2CCCC2)CC1)N(C)C
InChIInChI=1S/C21H34N4O/c1-18-8-4-5-9-19(18)20(22(2)3)21(26)25-16-14-24(15-17-25)13-12-23-10-6-7-11-23/h4-5,8-9,20H,6-7,10-17H2,1-3H3
InChIKeyZMSWLSKZYGFQRN-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.84
Rot. Bonds6

About 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone

2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 72931057) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID72931057
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1C(C(=O)N1CCN(CCN2CCCC2)CC1)N(C)C
InChIInChI=1S/C21H34N4O/c1-18-8-4-5-9-19(18)20(22(2)3)21(26)25-16-14-24(15-17-25)13-12-23-10-6-7-11-23/h4-5,8-9,20H,6-7,10-17H2,1-3H3
InChIKeyZMSWLSKZYGFQRN-UHFFFAOYSA-N
XLogP1.84
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110611656
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
2-(dimethylamino)-1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(2-methylphenyl)ethanone
CID 56758184
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97285815
6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97194787
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 97133868
ethyl 1-[2-(dimethylamino)-2-(2-methylphenyl)acetyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 45223738

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone (CID 72931057) is 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone is Cc1ccccc1C(C(=O)N1CCN(CCN2CCCC2)CC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is ZMSWLSKZYGFQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-18-8-4-5-9-19(18)20(22(2)3)21(26)25-16-14-24(15-17-25)13-12-23-10-6-7-11-23/h4-5,8-9,20H,6-7,10-17H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 358.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72931057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).