3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide

C25H35N3O — CID 55662778

IUPAC3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
SMILESCc1cccc(CCC(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C25H35N3O/c1-20-6-4-8-23(18-20)10-11-25(29)26-22(3)12-13-27-14-16-28(17-15-27)24-9-5-7-21(2)19-24/h4-9,18-19,22H,10-17H2,1-3H3,(H,26,29)
InChIKeyOVGCELRFAQOJRI-UHFFFAOYSA-N
MW393.58 g/mol
LogP3.95
Rot. Bonds8

About 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide

3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide (PubChem CID 55662778) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
PubChem CID55662778
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
SMILESCc1cccc(CCC(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C25H35N3O/c1-20-6-4-8-23(18-20)10-11-25(29)26-22(3)12-13-27-14-16-28(17-15-27)24-9-5-7-21(2)19-24/h4-9,18-19,22H,10-17H2,1-3H3,(H,26,29)
InChIKeyOVGCELRFAQOJRI-UHFFFAOYSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 36635694
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
CID 60501653
3-[(2-chlorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662536
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide
CID 55662630
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanamide
CID 97204759
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide
CID 78868715
3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
CID 71942240

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide (CID 55662778) is 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide is Cc1cccc(CCC(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide?
The InChIKey is OVGCELRFAQOJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-20-6-4-8-23(18-20)10-11-25(29)26-22(3)12-13-27-14-16-28(17-15-27)24-9-5-7-21(2)19-24/h4-9,18-19,22H,10-17H2,1-3H3,(H,26,29).
What are the key properties of 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide?
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide has a molecular weight of 393.58 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide is sourced from PubChem (CID 55662778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).