2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

C19H25N3O3 — CID 109133407

IUPAC2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CC1C(=O)N1CCOCC1
InChIInChI=1S/C19H25N3O3/c23-18(16-13-17(16)19(24)22-9-11-25-12-10-22)20-14-3-5-15(6-4-14)21-7-1-2-8-21/h3-6,16-17H,1-2,7-13H2,(H,20,23)
InChIKeyLGMGEUYAQCNECC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.72
Rot. Bonds4

About 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 109133407) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
PubChem CID109133407
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CC1C(=O)N1CCOCC1
InChIInChI=1S/C19H25N3O3/c23-18(16-13-17(16)19(24)22-9-11-25-12-10-22)20-14-3-5-15(6-4-14)21-7-1-2-8-21/h3-6,16-17H,1-2,7-13H2,(H,20,23)
InChIKeyLGMGEUYAQCNECC-UHFFFAOYSA-N
XLogP1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
N-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6461546
1-(2-Fluorophenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 16290595
N-[4-(morpholin-4-yl)phenyl]butanamide
CID 774884
3-methyl-N-[4-(morpholin-4-yl)phenyl]butanamide
CID 960348
1-Cyclohexyl-3-((4-morpholinophenyl)amino)pyrrolidine-2,5-dione
CID 2947183
(5Z,8Z,11Z,14Z)-N-(4-morpholinophenyl)icosa-5,8,11,14-tetraenamide
CID 44406108
5-methyl-2-(4-morpholinophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2809721
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 6459312
1-(4-Fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 6461839
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
2-Pyrrolidinone, 4-(morpholinocarbonyl)-1-phenyl-
CID 217788

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (CID 109133407) is 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CC1C(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LGMGEUYAQCNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(16-13-17(16)19(24)22-9-11-25-12-10-22)20-14-3-5-15(6-4-14)21-7-1-2-8-21/h3-6,16-17H,1-2,7-13H2,(H,20,23).
What are the key properties of 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).