N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

C20H24ClN3O3 — CID 1485521

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O3/c1-26-17-6-4-16(5-7-17)23-9-11-24(12-10-23)20(25)22-14-15-3-8-19(27-2)18(21)13-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyNJLAOKPGYFYNMB-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.39
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 1485521) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID1485521
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O3/c1-26-17-6-4-16(5-7-17)23-9-11-24(12-10-23)20(25)22-14-15-3-8-19(27-2)18(21)13-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyNJLAOKPGYFYNMB-UHFFFAOYSA-N
XLogP3.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 1485521) is N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NJLAOKPGYFYNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-17-6-4-16(5-7-17)23-9-11-24(12-10-23)20(25)22-14-15-3-8-19(27-2)18(21)13-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1485521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).