4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide

C18H19N3O2 — CID 23992135

IUPAC4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H19N3O2/c22-14-20-10-12-21(13-11-20)18(23)19-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,19,23)
InChIKeyNANMZBZEKMTVOF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds3

About 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide

4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide (PubChem CID 23992135) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
PubChem CID23992135
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H19N3O2/c22-14-20-10-12-21(13-11-20)18(23)19-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,19,23)
InChIKeyNANMZBZEKMTVOF-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
4-formyl-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875353
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 74243293
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108974308

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide (CID 23992135) is 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide is O=CN1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide?
The InChIKey is NANMZBZEKMTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-14-20-10-12-21(13-11-20)18(23)19-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,19,23).
What are the key properties of 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide?
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23992135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).