N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide

C23H31N3O3 — CID 91643944

IUPACN-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)N2CCN(c3ccc(C)c(C)c3)CC2C)cc1OC
InChIInChI=1S/C23H31N3O3/c1-15-7-8-19(11-16(15)2)25-9-10-26(18(4)14-25)23(27)24-20-13-22(29-6)21(28-5)12-17(20)3/h7-8,11-13,18H,9-10,14H2,1-6H3,(H,24,27)
InChIKeySFMMBXCVFLPCHN-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.37
Rot. Bonds4

About N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 91643944) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide
PubChem CID91643944
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)N2CCN(c3ccc(C)c(C)c3)CC2C)cc1OC
InChIInChI=1S/C23H31N3O3/c1-15-7-8-19(11-16(15)2)25-9-10-26(18(4)14-25)23(27)24-20-13-22(29-6)21(28-5)12-17(20)3/h7-8,11-13,18H,9-10,14H2,1-6H3,(H,24,27)
InChIKeySFMMBXCVFLPCHN-UHFFFAOYSA-N
XLogP4.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide
CID 154338741
4-[3-methoxy-4-(oxetan-3-yloxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 69098618
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylpiperazine-1-carboxylic acid
CID 154353094
(2S)-3-[4-(3,4-dimethoxyphenyl)-2-methylpiperazine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
CID 143172592
methyl 4-[3-methyl-4-(1H-pyrazol-4-ylcarbamoyl)piperazin-1-yl]benzoate
CID 51104066
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
CID 97435699
tert-butyl (2R)-4-(4-cyclopropyl-3-methoxyphenyl)-2-methylpiperazine-1-carboxylate
CID 69099189
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
(2R)-N-(2,4-dimethoxyphenyl)-2-methyl-4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazine-1-carboxamide
CID 93006931
3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
CID 131944338
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide (CID 91643944) is N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide is COc1cc(C)c(NC(=O)N2CCN(c3ccc(C)c(C)c3)CC2C)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is SFMMBXCVFLPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15-7-8-19(11-16(15)2)25-9-10-26(18(4)14-25)23(27)24-20-13-22(29-6)21(28-5)12-17(20)3/h7-8,11-13,18H,9-10,14H2,1-6H3,(H,24,27).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 91643944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).