2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide

C24H28N4O4 — CID 166218985

IUPAC2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide
SMILESCC1(c2ccccc2)CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1
InChIInChI=1S/C24H28N4O4/c1-24(20-5-3-2-4-6-20)17-28(13-14-32-24)23(31)26-15-18-7-9-19(10-8-18)22(30)27-12-11-25-21(29)16-27/h2-10H,11-17H2,1H3,(H,25,29)(H,26,31)
InChIKeyIYNNZAIWHISWAT-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide

2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide (PubChem CID 166218985) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide
PubChem CID166218985
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide
SMILESCC1(c2ccccc2)CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1
InChIInChI=1S/C24H28N4O4/c1-24(20-5-3-2-4-6-20)17-28(13-14-32-24)23(31)26-15-18-7-9-19(10-8-18)22(30)27-12-11-25-21(29)16-27/h2-10H,11-17H2,1H3,(H,25,29)(H,26,31)
InChIKeyIYNNZAIWHISWAT-UHFFFAOYSA-N
XLogP1.72
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 110952096
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
2-methyl-1-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854734
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61202032
(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 119283789
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
1-[(2-fluorophenyl)methyl]-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111266190
(2S)-2-amino-3-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]butanamide
CID 119283797
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111843799
N'-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724339
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111362265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide (CID 166218985) is 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide is CC1(c2ccccc2)CN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCO1.
What is the InChIKey of 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is IYNNZAIWHISWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(20-5-3-2-4-6-20)17-28(13-14-32-24)23(31)26-15-18-7-9-19(10-8-18)22(30)27-12-11-25-21(29)16-27/h2-10H,11-17H2,1H3,(H,25,29)(H,26,31).
What are the key properties of 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide?
2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 166218985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).