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

C17H22N4O2 — CID 134363661

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOC(c2ccccc2)C1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C17H22N4O2/c1-19(15-7-8-20(11-15)13-18)17(22)21-9-10-23-16(12-21)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3/t15-,16?/m1/s1
InChIKeyJUYNZYKPGFMBGM-AAFJCEBUSA-N
MW314.39 g/mol
LogP1.67
Rot. Bonds2

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

N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide (PubChem CID 134363661) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide
PubChem CID134363661
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide
SMILESCN(C(=O)N1CCOC(c2ccccc2)C1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C17H22N4O2/c1-19(15-7-8-20(11-15)13-18)17(22)21-9-10-23-16(12-21)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3/t15-,16?/m1/s1
InChIKeyJUYNZYKPGFMBGM-AAFJCEBUSA-N
XLogP1.67
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

US10343992, Example 238
CID 122590479
US10343992, Example 188
CID 122590681
US10343992, Example 136
CID 134363677
Mlv 3076
CID 128596
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-trans)-
CID 13713348
benzyl 2-[(1E)-3-(morpholin-4-yl)prop-1-en-1-yl]pyrrolidine-1-carboxylate
CID 6373779
[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 4913166
N,N-Diethyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 3043213
3-Oxazolidinecarboxamide, N,N-dipropyl-2-oxo-5-phenyl-
CID 3043214
3-(Morpholine-4-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 3043216

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide (CID 134363661) is N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide is CN(C(=O)N1CCOC(c2ccccc2)C1)[C@@H]1CCN(C#N)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide?
The InChIKey is JUYNZYKPGFMBGM-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19(15-7-8-20(11-15)13-18)17(22)21-9-10-23-16(12-21)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3/t15-,16?/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 134363661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).