N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide

C24H36N4O4 — CID 23728124

IUPACN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide
SMILESCOCC(=O)N1CC(N(CCc2ccccc2)C(=O)C(C)C)CC1C(=O)N1CCNCC1
InChIInChI=1S/C24H36N4O4/c1-18(2)23(30)27(12-9-19-7-5-4-6-8-19)20-15-21(28(16-20)22(29)17-32-3)24(31)26-13-10-25-11-14-26/h4-8,18,20-21,25H,9-17H2,1-3H3
InChIKeyYXIIZONYSWPJNG-UHFFFAOYSA-N
MW444.58 g/mol
LogP0.76
Rot. Bonds8

About N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide

N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide (PubChem CID 23728124) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide
PubChem CID23728124
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC NameN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide
SMILESCOCC(=O)N1CC(N(CCc2ccccc2)C(=O)C(C)C)CC1C(=O)N1CCNCC1
InChIInChI=1S/C24H36N4O4/c1-18(2)23(30)27(12-9-19-7-5-4-6-8-19)20-15-21(28(16-20)22(29)17-32-3)24(31)26-13-10-25-11-14-26/h4-8,18,20-21,25H,9-17H2,1-3H3
InChIKeyYXIIZONYSWPJNG-UHFFFAOYSA-N
XLogP0.76
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide (CID 23728124) is N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide is COCC(=O)N1CC(N(CCc2ccccc2)C(=O)C(C)C)CC1C(=O)N1CCNCC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide?
The InChIKey is YXIIZONYSWPJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-18(2)23(30)27(12-9-19-7-5-4-6-8-19)20-15-21(28(16-20)22(29)17-32-3)24(31)26-13-10-25-11-14-26/h4-8,18,20-21,25H,9-17H2,1-3H3.
What are the key properties of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide?
N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 444.58 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 23728124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).