N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride

C19H26ClN3O2S — CID 119394379

IUPACN-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C19H25N3O2S.ClH/c23-19(21-7-3-10-22-11-8-20-9-12-22)16-4-1-5-17(14-16)24-15-18-6-2-13-25-18;/h1-2,4-6,13-14,20H,3,7-12,15H2,(H,21,23);1H
InChIKeySNSLAJSGAMARTG-UHFFFAOYSA-N
MW395.96 g/mol
LogP2.77
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride (PubChem CID 119394379) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
PubChem CID119394379
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C19H25N3O2S.ClH/c23-19(21-7-3-10-22-11-8-20-9-12-22)16-4-1-5-17(14-16)24-15-18-6-2-13-25-18;/h1-2,4-6,13-14,20H,3,7-12,15H2,(H,21,23);1H
InChIKeySNSLAJSGAMARTG-UHFFFAOYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119392764
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55835910
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride (CID 119394379) is N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1cccc(OCc2cccs2)c1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
The InChIKey is SNSLAJSGAMARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c23-19(21-7-3-10-22-11-8-20-9-12-22)16-4-1-5-17(14-16)24-15-18-6-2-13-25-18;/h1-2,4-6,13-14,20H,3,7-12,15H2,(H,21,23);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119394379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).