N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide

C13H15N3O2 — CID 2815672

IUPACN-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
InChIKeyZXWAHHRBFVCEAR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.10
Rot. Bonds2

About N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide

N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide (PubChem CID 2815672) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
PubChem CID2815672
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
InChIKeyZXWAHHRBFVCEAR-UHFFFAOYSA-N
XLogP1.10
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Morpholin-4-yl)methyl)benzonitrile
CID 216864
N-benzyl-N-methylmorpholine-4-carboxamide
CID 669645
N-benzylmorpholine-4-carboxamide
CID 760018
N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-benzyl-4-(2-hydroxyethyl)-1-piperazinecarboxamide
CID 6457755
1-Benzyl-3-(2-(2-((cyclohexylmethyl)(ethyl)amino)ethoxy)ethyl)urea
CID 11726118
1-[(4-Methylphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 25994484
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 51124416
N-[(4-cyanophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 60476335

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide (CID 2815672) is N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide is N#Cc1ccc(CNC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide?
The InChIKey is ZXWAHHRBFVCEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17).
What are the key properties of N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide?
N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 2815672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).