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

C16H20N4O2 — CID 134363677

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
SMILESN#CN1CC[C@@H](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)/t14-,15?/m1/s1
InChIKeyGORVTIVALOJRKC-GICMACPYSA-N
MW300.36 g/mol
LogP1.32
Rot. Bonds2

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

N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide (PubChem CID 134363677) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
PubChem CID134363677
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
SMILESN#CN1CC[C@@H](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)/t14-,15?/m1/s1
InChIKeyGORVTIVALOJRKC-GICMACPYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide (CID 134363677) is N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide is N#CN1CC[C@@H](NC(=O)N2CCOC(c3ccccc3)C2)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is GORVTIVALOJRKC-GICMACPYSA-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)/t14-,15?/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide?
N-[(3R)-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-[(3R)-1-cyanopyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 134363677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).