(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide

C15H21N3O3 — CID 124948483

IUPAC(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN1C(=O)c1ccccc1OC
InChIInChI=1S/C15H21N3O3/c1-16-14(19)12-10-17(2)8-9-18(12)15(20)11-6-4-5-7-13(11)21-3/h4-7,12H,8-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyCNHUGWURQZZRJS-LBPRGKRZSA-N
MW291.35 g/mol
LogP0.20
Rot. Bonds3

About (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide

(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide (PubChem CID 124948483) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
PubChem CID124948483
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN1C(=O)c1ccccc1OC
InChIInChI=1S/C15H21N3O3/c1-16-14(19)12-10-17(2)8-9-18(12)15(20)11-6-4-5-7-13(11)21-3/h4-7,12H,8-10H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyCNHUGWURQZZRJS-LBPRGKRZSA-N
XLogP0.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 44783626
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
CID 124977606
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
4-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
N,4-dimethyl-1-(5-methylpyrazine-2-carbonyl)piperazine-2-carboxamide
CID 110086409
(2-methoxyphenyl)-(2-propan-2-ylaziridin-1-yl)methanone
CID 139985368
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
CID 124952150
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone
CID 122273154
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide (CID 124948483) is (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C)CCN1C(=O)c1ccccc1OC.
What is the InChIKey of (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide?
The InChIKey is CNHUGWURQZZRJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14(19)12-10-17(2)8-9-18(12)15(20)11-6-4-5-7-13(11)21-3/h4-7,12H,8-10H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide?
(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124948483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).