N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C21H27N3O2 — CID 109029405

IUPACN-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-5-3-7-19(15-17)24-13-11-23(12-14-24)10-9-21(25)22-18-6-4-8-20(16-18)26-2/h3-8,15-16H,9-14H2,1-2H3,(H,22,25)
InChIKeyVKRUSRPCMQRRTL-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.15
Rot. Bonds6

About N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 109029405) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID109029405
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-5-3-7-19(15-17)24-13-11-23(12-14-24)10-9-21(25)22-18-6-4-8-20(16-18)26-2/h3-8,15-16H,9-14H2,1-2H3,(H,22,25)
InChIKeyVKRUSRPCMQRRTL-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea
CID 8614615
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
1-(3-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062285
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(6-amino-3-pyridinyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119516064
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 109029405) is N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is COc1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is VKRUSRPCMQRRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-5-3-7-19(15-17)24-13-11-23(12-14-24)10-9-21(25)22-18-6-4-8-20(16-18)26-2/h3-8,15-16H,9-14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109029405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).