4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide

C20H24ClN3O2 — CID 113111468

IUPAC4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-14-4-6-18(15(2)12-14)22-20(25)24-10-8-23(9-11-24)16-5-7-19(26-3)17(21)13-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyDEHMPGCOZWBTQJ-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.32
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide

4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111468) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111468
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-14-4-6-18(15(2)12-14)22-20(25)24-10-8-23(9-11-24)16-5-7-19(26-3)17(21)13-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyDEHMPGCOZWBTQJ-UHFFFAOYSA-N
XLogP4.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113405
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
methyl 3-[4-[(2,4-dimethylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111486
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23827340
4-[4-[[2-(2,4-dimethylanilino)acetyl]amino]phenyl]-N-(2-methoxy-4,6-dimethylphenyl)piperazine-1-carboxamide
CID 70949288
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide (CID 113111468) is 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is DEHMPGCOZWBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-4-6-18(15(2)12-14)22-20(25)24-10-8-23(9-11-24)16-5-7-19(26-3)17(21)13-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).