N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 119853783

IUPACN-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)C1CCCN1
InChIInChI=1S/C16H23N3O2/c20-16(14-5-3-7-17-14)18-12-13-4-1-2-6-15(13)19-8-10-21-11-9-19/h1-2,4,6,14,17H,3,5,7-12H2,(H,18,20)
InChIKeyPSLPDPHYWGWHGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds4

About N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide

N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 119853783) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID119853783
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)C1CCCN1
InChIInChI=1S/C16H23N3O2/c20-16(14-5-3-7-17-14)18-12-13-4-1-2-6-15(13)19-8-10-21-11-9-19/h1-2,4,6,14,17H,3,5,7-12H2,(H,18,20)
InChIKeyPSLPDPHYWGWHGJ-UHFFFAOYSA-N
XLogP0.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119892449
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119275550
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 119853783) is N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1N1CCOCC1)C1CCCN1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is PSLPDPHYWGWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(14-5-3-7-17-14)18-12-13-4-1-2-6-15(13)19-8-10-21-11-9-19/h1-2,4,6,14,17H,3,5,7-12H2,(H,18,20).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119853783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).