N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide

C20H25N3O2 — CID 35688690

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
SMILESCOCc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-16-18-9-7-17(8-10-18)15-21-20(24)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyZUUHLWHKYQOKLH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.86
Rot. Bonds5

About N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide

N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 35688690) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
PubChem CID35688690
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
SMILESCOCc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-16-18-9-7-17(8-10-18)15-21-20(24)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyZUUHLWHKYQOKLH-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-phenyl-1,4-diazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019732
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide (CID 35688690) is N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide is COCc1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is ZUUHLWHKYQOKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-16-18-9-7-17(8-10-18)15-21-20(24)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide?
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 35688690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).