4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide

C20H28N4O2 — CID 56891256

IUPAC4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOCCCN(C(=O)c1ccc(-n2ccnc2)cc1)C1CCN(C)CC1
InChIInChI=1S/C20H28N4O2/c1-22-12-8-19(9-13-22)24(11-3-15-26-2)20(25)17-4-6-18(7-5-17)23-14-10-21-16-23/h4-7,10,14,16,19H,3,8-9,11-13,15H2,1-2H3
InChIKeyCIJQJUYZYPFJTG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.45
Rot. Bonds7

About 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide

4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 56891256) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID56891256
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOCCCN(C(=O)c1ccc(-n2ccnc2)cc1)C1CCN(C)CC1
InChIInChI=1S/C20H28N4O2/c1-22-12-8-19(9-13-22)24(11-3-15-26-2)20(25)17-4-6-18(7-5-17)23-14-10-21-16-23/h4-7,10,14,16,19H,3,8-9,11-13,15H2,1-2H3
InChIKeyCIJQJUYZYPFJTG-UHFFFAOYSA-N
XLogP2.45
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 56890332
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 23644580
N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
CID 154751921
N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide
CID 19778073
4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 44589177
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide (CID 56891256) is 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide is COCCCN(C(=O)c1ccc(-n2ccnc2)cc1)C1CCN(C)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is CIJQJUYZYPFJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22-12-8-19(9-13-22)24(11-3-15-26-2)20(25)17-4-6-18(7-5-17)23-14-10-21-16-23/h4-7,10,14,16,19H,3,8-9,11-13,15H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide?
4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 356.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 56891256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).