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

C20H24ClN3O3 — CID 17300058

IUPAC4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC
InChIInChI=1S/C20H24ClN3O3/c1-14-4-5-15(21)12-17(14)23-8-10-24(11-9-23)20(25)22-16-6-7-18(26-2)19(13-16)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeySFTXUNFRRJFFRN-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.02
Rot. Bonds4

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

4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 17300058) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID17300058
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC
InChIInChI=1S/C20H24ClN3O3/c1-14-4-5-15(21)12-17(14)23-8-10-24(11-9-23)20(25)22-16-6-7-18(26-2)19(13-16)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeySFTXUNFRRJFFRN-UHFFFAOYSA-N
XLogP4.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113450
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 17300058) is 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is SFTXUNFRRJFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14-4-5-15(21)12-17(14)23-8-10-24(11-9-23)20(25)22-16-6-7-18(26-2)19(13-16)27-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17300058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).