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

C20H25N3O3 — CID 113111056

IUPACN-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-15-6-4-5-7-17(15)22-10-12-23(13-11-22)20(24)21-16-8-9-18(25-2)19(14-16)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyRENIGRXVLVMEFQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.37
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111056) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID113111056
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-15-6-4-5-7-17(15)22-10-12-23(13-11-22)20(24)21-16-8-9-18(25-2)19(14-16)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyRENIGRXVLVMEFQ-UHFFFAOYSA-N
XLogP3.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide (CID 113111056) is N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is RENIGRXVLVMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-6-4-5-7-17(15)22-10-12-23(13-11-22)20(24)21-16-8-9-18(25-2)19(14-16)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).