4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C22H29N3O3 — CID 113110199

IUPAC4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-11-10-19(17-21(20)28-2)24-13-15-25(16-14-24)22(26)23-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26)
InChIKeyTYZJUMLFSFHAPO-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.17
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110199) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110199
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-11-10-19(17-21(20)28-2)24-13-15-25(16-14-24)22(26)23-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26)
InChIKeyTYZJUMLFSFHAPO-UHFFFAOYSA-N
XLogP3.17
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110884
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110199) is 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is TYZJUMLFSFHAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-11-10-19(17-21(20)28-2)24-13-15-25(16-14-24)22(26)23-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3,(H,23,26).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).