N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide

C13H14N4O2 — CID 23875995

IUPACN-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C13H14N4O2/c14-9-11-1-3-12(4-2-11)15-13(19)17-7-5-16(10-18)6-8-17/h1-4,10H,5-8H2,(H,15,19)
InChIKeyXVGHPZYLCUOBPS-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.86
Rot. Bonds2

About N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide

N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide (PubChem CID 23875995) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
PubChem CID23875995
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C13H14N4O2/c14-9-11-1-3-12(4-2-11)15-13(19)17-7-5-16(10-18)6-8-17/h1-4,10H,5-8H2,(H,15,19)
InChIKeyXVGHPZYLCUOBPS-UHFFFAOYSA-N
XLogP0.86
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875353
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide (CID 23875995) is N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide?
The InChIKey is XVGHPZYLCUOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-11-1-3-12(4-2-11)15-13(19)17-7-5-16(10-18)6-8-17/h1-4,10H,5-8H2,(H,15,19).
What are the key properties of N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide?
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 23875995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).