N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide

C20H23Cl2N3O3 — CID 60554267

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl
InChIInChI=1S/C20H23Cl2N3O3/c1-27-11-12-28-19-6-5-16(14-18(19)22)23-20(26)25-9-7-24(8-10-25)17-4-2-3-15(21)13-17/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyUZMHIIXVRWTICG-UHFFFAOYSA-N
MW424.33 g/mol
LogP4.37
Rot. Bonds6

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 60554267) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID60554267
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl
InChIInChI=1S/C20H23Cl2N3O3/c1-27-11-12-28-19-6-5-16(14-18(19)22)23-20(26)25-9-7-24(8-10-25)17-4-2-3-15(21)13-17/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyUZMHIIXVRWTICG-UHFFFAOYSA-N
XLogP4.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
CID 60611911
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-prop-2-ynylpiperazine-1-carboxamide
CID 75393749
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 60577938
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
2-methylpropyl N-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 60586638
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 60554267) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide is COCCOc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is UZMHIIXVRWTICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-27-11-12-28-19-6-5-16(14-18(19)22)23-20(26)25-9-7-24(8-10-25)17-4-2-3-15(21)13-17/h2-6,13-14H,7-12H2,1H3,(H,23,26).
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 424.33 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 60554267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).