N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

C22H37N5O5 — CID 23820720

IUPACN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
SMILESCOCC(=O)N1CC(N(CCN2CCOCC2)C(=O)C2CC2)CC1C(=O)N1CCNCC1
InChIInChI=1S/C22H37N5O5/c1-31-16-20(28)27-15-18(14-19(27)22(30)25-6-4-23-5-7-25)26(21(29)17-2-3-17)9-8-24-10-12-32-13-11-24/h17-19,23H,2-16H2,1H3
InChIKeyFFZUQMWTKQXTEP-UHFFFAOYSA-N
MW451.57 g/mol
LogP-1.40
Rot. Bonds8

About N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (PubChem CID 23820720) has the molecular formula C22H37N5O5 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
PubChem CID23820720
Molecular FormulaC22H37N5O5
Molecular Weight451.57 g/mol
Exact Mass451.28
IUPAC NameN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
SMILESCOCC(=O)N1CC(N(CCN2CCOCC2)C(=O)C2CC2)CC1C(=O)N1CCNCC1
InChIInChI=1S/C22H37N5O5/c1-31-16-20(28)27-15-18(14-19(27)22(30)25-6-4-23-5-7-25)26(21(29)17-2-3-17)9-8-24-10-12-32-13-11-24/h17-19,23H,2-16H2,1H3
InChIKeyFFZUQMWTKQXTEP-UHFFFAOYSA-N
XLogP-1.40
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (CID 23820720) is N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is COCC(=O)N1CC(N(CCN2CCOCC2)C(=O)C2CC2)CC1C(=O)N1CCNCC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?
The InChIKey is FFZUQMWTKQXTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O5/c1-31-16-20(28)27-15-18(14-19(27)22(30)25-6-4-23-5-7-25)26(21(29)17-2-3-17)9-8-24-10-12-32-13-11-24/h17-19,23H,2-16H2,1H3.
What are the key properties of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?
N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide has a molecular weight of 451.57 g/mol, XLogP of -1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 23820720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).