N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide

C21H29N3OS — CID 38440769

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
SMILESCc1cccc(N2CCN(CCCNC(=O)CCc3ccsc3)CC2)c1
InChIInChI=1S/C21H29N3OS/c1-18-4-2-5-20(16-18)24-13-11-23(12-14-24)10-3-9-22-21(25)7-6-19-8-15-26-17-19/h2,4-5,8,15-17H,3,6-7,9-14H2,1H3,(H,22,25)
InChIKeyFJDFTXCGQRWBNZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.32
Rot. Bonds8

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide (PubChem CID 38440769) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
PubChem CID38440769
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
SMILESCc1cccc(N2CCN(CCCNC(=O)CCc3ccsc3)CC2)c1
InChIInChI=1S/C21H29N3OS/c1-18-4-2-5-20(16-18)24-13-11-23(12-14-24)10-3-9-22-21(25)7-6-19-8-15-26-17-19/h2,4-5,8,15-17H,3,6-7,9-14H2,1H3,(H,22,25)
InChIKeyFJDFTXCGQRWBNZ-UHFFFAOYSA-N
XLogP3.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 39540383
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
CID 71942240
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 55624420
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide (CID 38440769) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide is Cc1cccc(N2CCN(CCCNC(=O)CCc3ccsc3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide?
The InChIKey is FJDFTXCGQRWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-18-4-2-5-20(16-18)24-13-11-23(12-14-24)10-3-9-22-21(25)7-6-19-8-15-26-17-19/h2,4-5,8,15-17H,3,6-7,9-14H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide has a molecular weight of 371.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 38440769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).