2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide

C20H30N4O3 — CID 119068276

IUPAC2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCCN3CCOCC3)C(C)C2=O)cc1
InChIInChI=1S/C20H30N4O3/c1-16-3-5-18(6-4-16)15-23-9-10-24(17(2)19(23)25)20(26)21-7-8-22-11-13-27-14-12-22/h3-6,17H,7-15H2,1-2H3,(H,21,26)
InChIKeyIDECVAUNNRDNRI-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.07
Rot. Bonds5

About 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide

2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide (PubChem CID 119068276) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide
PubChem CID119068276
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCCN3CCOCC3)C(C)C2=O)cc1
InChIInChI=1S/C20H30N4O3/c1-16-3-5-18(6-4-16)15-23-9-10-24(17(2)19(23)25)20(26)21-7-8-22-11-13-27-14-12-22/h3-6,17H,7-15H2,1-2H3,(H,21,26)
InChIKeyIDECVAUNNRDNRI-UHFFFAOYSA-N
XLogP1.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 50971487
(1R)-1-methyl-N-(2-morpholin-4-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94678301
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836502
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4048962
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide (CID 119068276) is 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)NCCN3CCOCC3)C(C)C2=O)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is IDECVAUNNRDNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-16-3-5-18(6-4-16)15-23-9-10-24(17(2)19(23)25)20(26)21-7-8-22-11-13-27-14-12-22/h3-6,17H,7-15H2,1-2H3,(H,21,26).
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide?
2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 119068276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).