N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide

C18H21N3O2 — CID 6469276

IUPACN-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-23-17-9-5-6-15(14-17)19-18(22)21-12-10-20(11-13-21)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,19,22)
InChIKeyLVCGLAKBTZIFOC-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.05
Rot. Bonds3

About N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide

N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 6469276) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID6469276
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-23-17-9-5-6-15(14-17)19-18(22)21-12-10-20(11-13-21)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,19,22)
InChIKeyLVCGLAKBTZIFOC-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
methyl 2-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113586
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N,4-bis(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3839532
4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113603
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide (CID 6469276) is N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is LVCGLAKBTZIFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-9-5-6-15(14-17)19-18(22)21-12-10-20(11-13-21)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 6469276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).