(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one

C20H28N4O2 — CID 99928517

IUPAC(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCOCCn1ccnc1CN1CCN(Cc2cccc(C)c2)C(=O)[C@H]1C
InChIInChI=1S/C20H28N4O2/c1-16-5-4-6-18(13-16)14-24-10-9-23(17(2)20(24)25)15-19-21-7-8-22(19)11-12-26-3/h4-8,13,17H,9-12,14-15H2,1-3H3/t17-/m1/s1
InChIKeyDDYMDWPVAHMSAR-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.07
Rot. Bonds7

About (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one

(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 99928517) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID99928517
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCOCCn1ccnc1CN1CCN(Cc2cccc(C)c2)C(=O)[C@H]1C
InChIInChI=1S/C20H28N4O2/c1-16-5-4-6-18(13-16)14-24-10-9-23(17(2)20(24)25)15-19-21-7-8-22(19)11-12-26-3/h4-8,13,17H,9-12,14-15H2,1-3H3/t17-/m1/s1
InChIKeyDDYMDWPVAHMSAR-QGZVFWFLSA-N
XLogP2.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-[[(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124753780
(3S)-1-benzyl-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperazin-2-one
CID 124752049
3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide
CID 124749511
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119065622
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
(2R)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95292862
(3S)-4-[(1-benzylimidazol-2-yl)methyl]-1-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424252
(3R)-1-(3-bromophenyl)-3-methyl-4-[(3-methylphenyl)methyl]piperazin-2-one
CID 93322462

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one (CID 99928517) is (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one is COCCn1ccnc1CN1CCN(Cc2cccc(C)c2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is DDYMDWPVAHMSAR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16-5-4-6-18(13-16)14-24-10-9-23(17(2)20(24)25)15-19-21-7-8-22(19)11-12-26-3/h4-8,13,17H,9-12,14-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one?
(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 99928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).