N-(4-cyanophenyl)morpholine-4-carboxamide

C12H13N3O2 — CID 4984315

IUPACN-(4-cyanophenyl)morpholine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H13N3O2/c13-9-10-1-3-11(4-2-10)14-12(16)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16)
InChIKeyBVZGSYSGQVCERF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.42
Rot. Bonds1

About N-(4-cyanophenyl)morpholine-4-carboxamide

N-(4-cyanophenyl)morpholine-4-carboxamide (PubChem CID 4984315) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4-cyanophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)morpholine-4-carboxamide
PubChem CID4984315
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(4-cyanophenyl)morpholine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H13N3O2/c13-9-10-1-3-11(4-2-10)14-12(16)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16)
InChIKeyBVZGSYSGQVCERF-UHFFFAOYSA-N
XLogP1.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
CID 69182135
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
N-(4-cyanophenyl)-4-(2,5-dimethylpyrrol-1-yl)piperidine-1-carboxamide
CID 47092621

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)morpholine-4-carboxamide (CID 4984315) is N-(4-cyanophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)morpholine-4-carboxamide is N#Cc1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)morpholine-4-carboxamide?
The InChIKey is BVZGSYSGQVCERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-9-10-1-3-11(4-2-10)14-12(16)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16).
What are the key properties of N-(4-cyanophenyl)morpholine-4-carboxamide?
N-(4-cyanophenyl)morpholine-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 4984315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).