N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide

C16H20N4O2 — CID 134363678

IUPACN-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
SMILESN#CN1CCC(NC(=O)N2CCOC(c3ccccc3)C2)C1
InChIInChI=1S/C16H20N4O2/c17-12-19-7-6-14(10-19)18-16(21)20-8-9-22-15(11-20)13-4-2-1-3-5-13/h1-5,14-15H,6-11H2,(H,18,21)
InChIKeyGORVTIVALOJRKC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.32
Rot. Bonds2

About N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide

N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide (PubChem CID 134363678) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
PubChem CID134363678
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
SMILESN#CN1CCC(NC(=O)N2CCOC(c3ccccc3)C2)C1
InChIInChI=1S/C16H20N4O2/c17-12-19-7-6-14(10-19)18-16(21)20-8-9-22-15(11-20)13-4-2-1-3-5-13/h1-5,14-15H,6-11H2,(H,18,21)
InChIKeyGORVTIVALOJRKC-UHFFFAOYSA-N
XLogP1.32
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
CID 122590666
(2R)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
CID 97015203
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
N-(1-cyanopyrrolidin-3-yl)-3-methoxy-3-phenylazetidine-1-carboxamide
CID 122590683
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
CID 164630204
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
N-cyclohexyl-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 110364020

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide (CID 134363678) is N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide is N#CN1CCC(NC(=O)N2CCOC(c3ccccc3)C2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide?
The InChIKey is GORVTIVALOJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-12-19-7-6-14(10-19)18-16(21)20-8-9-22-15(11-20)13-4-2-1-3-5-13/h1-5,14-15H,6-11H2,(H,18,21).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 134363678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).