4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C19H25N3O2 — CID 113106387

IUPAC4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H25N3O2/c23-19(20-10-4-8-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-18-9-5-15-24-18/h1-3,5-7,9,15H,4,8,10-14,16H2,(H,20,23)
InChIKeyWSMXJZJACAJWLK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.74
Rot. Bonds6

About 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113106387) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113106387
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H25N3O2/c23-19(20-10-4-8-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-18-9-5-15-24-18/h1-3,5-7,9,15H,4,8,10-14,16H2,(H,20,23)
InChIKeyWSMXJZJACAJWLK-UHFFFAOYSA-N
XLogP2.74
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-4-(3-phenylpropyl)piperazine
CID 740969
N-(2-tert-butylsulfanylethyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86884757
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
CID 119070855
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47071729
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide;formic acid
CID 154908208
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 113106387) is 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is WSMXJZJACAJWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(20-10-4-8-17-6-2-1-3-7-17)22-13-11-21(12-14-22)16-18-9-5-15-24-18/h1-3,5-7,9,15H,4,8,10-14,16H2,(H,20,23).
What are the key properties of 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).