methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate

C19H23N3O3 — CID 112985812

IUPACmethyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-24-18-9-7-17(8-10-18)22-13-11-21(12-14-22)16-5-3-15(4-6-16)20-19(23)25-2/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyOJFOUVNNTBMKJM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.20
Rot. Bonds4

About methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate

methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate (PubChem CID 112985812) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
PubChem CID112985812
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-24-18-9-7-17(8-10-18)22-13-11-21(12-14-22)16-5-3-15(4-6-16)20-19(23)25-2/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyOJFOUVNNTBMKJM-UHFFFAOYSA-N
XLogP3.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2S)-2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712950
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate (CID 112985812) is methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate is COC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
The InChIKey is OJFOUVNNTBMKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-9-7-17(8-10-18)22-13-11-21(12-14-22)16-5-3-15(4-6-16)20-19(23)25-2/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate?
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 112985812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).