N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide

C17H25N3O2 — CID 119878446

IUPACN-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(c1cccc(NC(=O)C2CCCN2)c1)N1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-13(20-8-10-22-11-9-20)14-4-2-5-15(12-14)19-17(21)16-6-3-7-18-16/h2,4-5,12-13,16,18H,3,6-11H2,1H3,(H,19,21)
InChIKeyQUENGFORGJRSRA-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.77
Rot. Bonds4

About N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide

N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119878446) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119878446
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(c1cccc(NC(=O)C2CCCN2)c1)N1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-13(20-8-10-22-11-9-20)14-4-2-5-15(12-14)19-17(21)16-6-3-7-18-16/h2,4-5,12-13,16,18H,3,6-11H2,1H3,(H,19,21)
InChIKeyQUENGFORGJRSRA-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 119283247
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
CID 119878447
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283310
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide (CID 119878446) is N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide is CC(c1cccc(NC(=O)C2CCCN2)c1)N1CCOCC1.
What is the InChIKey of N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QUENGFORGJRSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(20-8-10-22-11-9-20)14-4-2-5-15(12-14)19-17(21)16-6-3-7-18-16/h2,4-5,12-13,16,18H,3,6-11H2,1H3,(H,19,21).
What are the key properties of N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119878446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).