3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride

C20H27ClN4O — CID 120758052

IUPAC3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CCC(=O)Nc2cccnc2)cc1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-2-16-5-7-17(8-6-16)19-15-22-11-13-24(19)12-9-20(25)23-18-4-3-10-21-14-18;/h3-8,10,14,19,22H,2,9,11-13,15H2,1H3,(H,23,25);1H
InChIKeyNLJODNGBTKBCPC-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.04
Rot. Bonds6

About 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride

3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride (PubChem CID 120758052) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride
PubChem CID120758052
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CCC(=O)Nc2cccnc2)cc1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-2-16-5-7-17(8-6-16)19-15-22-11-13-24(19)12-9-20(25)23-18-4-3-10-21-14-18;/h3-8,10,14,19,22H,2,9,11-13,15H2,1H3,(H,23,25);1H
InChIKeyNLJODNGBTKBCPC-UHFFFAOYSA-N
XLogP3.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
3-[2-(4-ethylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 120757841
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
CID 120755914
N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120756007
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride (CID 120758052) is 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride is CCc1ccc(C2CNCCN2CCC(=O)Nc2cccnc2)cc1.Cl.
What is the InChIKey of 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride?
The InChIKey is NLJODNGBTKBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.ClH/c1-2-16-5-7-17(8-6-16)19-15-22-11-13-24(19)12-9-20(25)23-18-4-3-10-21-14-18;/h3-8,10,14,19,22H,2,9,11-13,15H2,1H3,(H,23,25);1H.
What are the key properties of 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride?
3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 120758052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).