N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide

C15H21N3O2 — CID 60710547

IUPACN-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN1
InChIInChI=1S/C15H21N3O2/c19-15(14-2-1-7-16-14)17-12-3-5-13(6-4-12)18-8-10-20-11-9-18/h3-6,14,16H,1-2,7-11H2,(H,17,19)
InChIKeyHEBQWFIQKCQNMG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide

N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 60710547) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID60710547
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN1
InChIInChI=1S/C15H21N3O2/c19-15(14-2-1-7-16-14)17-12-3-5-13(6-4-12)18-8-10-20-11-9-18/h3-6,14,16H,1-2,7-11H2,(H,17,19)
InChIKeyHEBQWFIQKCQNMG-UHFFFAOYSA-N
XLogP1.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
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

(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
(2R)-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-2-carboxamide
CID 119860916
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide (CID 60710547) is N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCN1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HEBQWFIQKCQNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(14-2-1-7-16-14)17-12-3-5-13(6-4-12)18-8-10-20-11-9-18/h3-6,14,16H,1-2,7-11H2,(H,17,19).
What are the key properties of N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).