N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide

C20H26N4O2 — CID 119391833

IUPACN-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H26N4O2/c25-20(23-8-3-11-24-12-9-21-10-13-24)18-5-1-6-19(14-18)26-16-17-4-2-7-22-15-17/h1-2,4-7,14-15,21H,3,8-13,16H2,(H,23,25)
InChIKeyPJOMFOYMJSVKER-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.69
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide

N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 119391833) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID119391833
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H26N4O2/c25-20(23-8-3-11-24-12-9-21-10-13-24)18-5-1-6-19(14-18)26-16-17-4-2-7-22-15-17/h1-2,4-7,14-15,21H,3,8-13,16H2,(H,23,25)
InChIKeyPJOMFOYMJSVKER-UHFFFAOYSA-N
XLogP1.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.69
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-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119392764
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide (CID 119391833) is N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide is O=C(NCCCN1CCNCC1)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is PJOMFOYMJSVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(23-8-3-11-24-12-9-21-10-13-24)18-5-1-6-19(14-18)26-16-17-4-2-7-22-15-17/h1-2,4-7,14-15,21H,3,8-13,16H2,(H,23,25).
What are the key properties of N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide?
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 354.45 g/mol, XLogP of 1.69, 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-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 119391833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).