4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide

C21H26ClN3O2 — CID 113111710

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-14-5-6-17(11-15(14)2)23-21(26)25-9-7-24(8-10-25)19-12-16(3)18(22)13-20(19)27-4/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)
InChIKeyHGOUDNALLBMFAC-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.63
Rot. Bonds3

About 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide

4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111710) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111710
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-14-5-6-17(11-15(14)2)23-21(26)25-9-7-24(8-10-25)19-12-16(3)18(22)13-20(19)27-4/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)
InChIKeyHGOUDNALLBMFAC-UHFFFAOYSA-N
XLogP4.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110926
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide (CID 113111710) is 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide is COc1cc(Cl)c(C)cc1N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is HGOUDNALLBMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-14-5-6-17(11-15(14)2)23-21(26)25-9-7-24(8-10-25)19-12-16(3)18(22)13-20(19)27-4/h5-6,11-13H,7-10H2,1-4H3,(H,23,26).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide?
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).