N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C20H28N4O — CID 43910415

IUPACN-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-17-7-12-23(13-8-17)15-18-3-5-19(6-4-18)20(25)22-9-2-11-24-14-10-21-16-24/h3-6,10,14,16-17H,2,7-9,11-13,15H2,1H3,(H,22,25)
InChIKeyCMMJXBAZWUFESA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.94
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 43910415) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID43910415
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-17-7-12-23(13-8-17)15-18-3-5-19(6-4-18)20(25)22-9-2-11-24-14-10-21-16-24/h3-6,10,14,16-17H,2,7-9,11-13,15H2,1H3,(H,22,25)
InChIKeyCMMJXBAZWUFESA-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 38103395
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35323449
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 43910415) is N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is CMMJXBAZWUFESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-17-7-12-23(13-8-17)15-18-3-5-19(6-4-18)20(25)22-9-2-11-24-14-10-21-16-24/h3-6,10,14,16-17H,2,7-9,11-13,15H2,1H3,(H,22,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 43910415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).