methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate

C20H23N3O4 — CID 113113631

IUPACmethyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-18-9-5-16(6-10-18)21-20(25)23-13-11-22(12-14-23)17-7-3-15(4-8-17)19(24)27-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeySWRVEMDIQTYSES-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds4

About methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate

methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (PubChem CID 113113631) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
PubChem CID113113631
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-18-9-5-16(6-10-18)21-20(25)23-13-11-22(12-14-23)17-7-3-15(4-8-17)19(24)27-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeySWRVEMDIQTYSES-UHFFFAOYSA-N
XLogP2.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
methyl 4-[[4-[4-(dimethylamino)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 113114384
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
methyl 4-[4-[(3,4-difluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114382
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
methyl 4-[[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780390
methyl 2-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113629
methyl 4-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111851
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate (CID 113113631) is methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
The InChIKey is SWRVEMDIQTYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-18-9-5-16(6-10-18)21-20(25)23-13-11-22(12-14-23)17-7-3-15(4-8-17)19(24)27-2/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate?
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 113113631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).