N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide

C21H26ClN3O — CID 2986945

IUPACN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C21H26ClN3O/c1-2-24-12-14-25(15-13-24)20-10-9-18(16-19(20)22)23-21(26)11-8-17-6-4-3-5-7-17/h3-7,9-10,16H,2,8,11-15H2,1H3,(H,23,26)
InChIKeySDHOGIQMQNVNCK-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.05
Rot. Bonds6

About N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 2986945) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
PubChem CID2986945
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESCCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C21H26ClN3O/c1-2-24-12-14-25(15-13-24)20-10-9-18(16-19(20)22)23-21(26)11-8-17-6-4-3-5-7-17/h3-7,9-10,16H,2,8,11-15H2,1H3,(H,23,26)
InChIKeySDHOGIQMQNVNCK-UHFFFAOYSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide (CID 2986945) is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide is CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is SDHOGIQMQNVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-2-24-12-14-25(15-13-24)20-10-9-18(16-19(20)22)23-21(26)11-8-17-6-4-3-5-7-17/h3-7,9-10,16H,2,8,11-15H2,1H3,(H,23,26).
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 371.91 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 2986945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).