3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide

C20H31N3O4 — CID 110285675

IUPAC3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-14(2)12-16(20(25)23-10-8-22(3)9-11-23)21-19(24)15-6-7-17(26-4)18(13-15)27-5/h6-7,13-14,16H,8-12H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyQKTRQFRAGWSMJN-INIZCTEOSA-N
MW377.49 g/mol
LogP1.62
Rot. Bonds7

About 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide

3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide (PubChem CID 110285675) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
PubChem CID110285675
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-14(2)12-16(20(25)23-10-8-22(3)9-11-23)21-19(24)15-6-7-17(26-4)18(13-15)27-5/h6-7,13-14,16H,8-12H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyQKTRQFRAGWSMJN-INIZCTEOSA-N
XLogP1.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066
3,5-dimethoxy-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351350
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
(2S)-2-amino-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119703390
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
[3-methoxy-4-(2-methylpropoxy)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 112791438
2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid
CID 23798884
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide (CID 110285675) is 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide is COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The InChIKey is QKTRQFRAGWSMJN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-14(2)12-16(20(25)23-10-8-22(3)9-11-23)21-19(24)15-6-7-17(26-4)18(13-15)27-5/h6-7,13-14,16H,8-12H2,1-5H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 110285675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).