4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide

C15H21N3O2 — CID 108988593

IUPAC4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c19-13-17-9-11-18(12-10-17)15(20)16-8-4-7-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,16,20)
InChIKeyJMKNRJDZORZQJF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.10
Rot. Bonds5

About 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide

4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 108988593) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID108988593
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=CN1CCN(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c19-13-17-9-11-18(12-10-17)15(20)16-8-4-7-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,16,20)
InChIKeyJMKNRJDZORZQJF-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
N-(3-chloropropyl)-4-formylpiperazine-1-carboxamide
CID 127572595
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 108988593) is 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide is O=CN1CCN(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is JMKNRJDZORZQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-13-17-9-11-18(12-10-17)15(20)16-8-4-7-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,16,20).
What are the key properties of 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 108988593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).