3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide

C16H20N4O — CID 126787531

IUPAC3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCCCC2c2ncc[nH]2)c1
InChIInChI=1S/C16H20N4O/c17-15(21)13-5-3-4-12(10-13)11-20-9-2-1-6-14(20)16-18-7-8-19-16/h3-5,7-8,10,14H,1-2,6,9,11H2,(H2,17,21)(H,18,19)
InChIKeyQWNSNVREAGNURQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.24
Rot. Bonds4

About 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide

3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide (PubChem CID 126787531) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
PubChem CID126787531
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCCCC2c2ncc[nH]2)c1
InChIInChI=1S/C16H20N4O/c17-15(21)13-5-3-4-12(10-13)11-20-9-2-1-6-14(20)16-18-7-8-19-16/h3-5,7-8,10,14H,1-2,6,9,11H2,(H2,17,21)(H,18,19)
InChIKeyQWNSNVREAGNURQ-UHFFFAOYSA-N
XLogP2.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]benzamide
CID 129380488
3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
CID 136576676
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97078468
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100
tert-butyl N-[[(2S)-1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 94375785
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
3-[[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]methyl]benzamide
CID 97011036

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide (CID 126787531) is 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide is NC(=O)c1cccc(CN2CCCCC2c2ncc[nH]2)c1.
What is the InChIKey of 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide?
The InChIKey is QWNSNVREAGNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-15(21)13-5-3-4-12(10-13)11-20-9-2-1-6-14(20)16-18-7-8-19-16/h3-5,7-8,10,14H,1-2,6,9,11H2,(H2,17,21)(H,18,19).
What are the key properties of 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide?
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 126787531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).