4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide

C20H25N3O2 — CID 108988796

IUPAC4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16(17-6-4-3-5-7-17)21-20(24)23-14-12-22(13-15-23)18-8-10-19(25-2)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyKBVNOCVNGHJTBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 108988796) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID108988796
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16(17-6-4-3-5-7-17)21-20(24)23-14-12-22(13-15-23)18-8-10-19(25-2)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)
InChIKeyKBVNOCVNGHJTBZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113107336
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55683744
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
4-(4-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126891
4-(4-methoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126890
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119058491
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 95126839
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 126149902

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide (CID 108988796) is 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NC(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is KBVNOCVNGHJTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16(17-6-4-3-5-7-17)21-20(24)23-14-12-22(13-15-23)18-8-10-19(25-2)11-9-18/h3-11,16H,12-15H2,1-2H3,(H,21,24).
What are the key properties of 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108988796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).