3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide

C20H29N7O — CID 166188674

IUPAC3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)N3CCCC(c4ncc[nH]4)C3)cn2)CC1
InChIInChI=1S/C20H29N7O/c1-25-9-11-26(12-10-25)18-5-4-16(13-23-18)14-24-20(28)27-8-2-3-17(15-27)19-21-6-7-22-19/h4-7,13,17H,2-3,8-12,14-15H2,1H3,(H,21,22)(H,24,28)
InChIKeyBWTSLEIMNBFBOA-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.65
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide

3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 166188674) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
PubChem CID166188674
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)N3CCCC(c4ncc[nH]4)C3)cn2)CC1
InChIInChI=1S/C20H29N7O/c1-25-9-11-26(12-10-25)18-5-4-16(13-23-18)14-24-20(28)27-8-2-3-17(15-27)19-21-6-7-22-19/h4-7,13,17H,2-3,8-12,14-15H2,1H3,(H,21,22)(H,24,28)
InChIKeyBWTSLEIMNBFBOA-UHFFFAOYSA-N
XLogP1.65
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 78853904
(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
CID 86864363
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442062
3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119901247
4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019610
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
1-cyclopentyl-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110992552

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide (CID 166188674) is 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide is CN1CCN(c2ccc(CNC(=O)N3CCCC(c4ncc[nH]4)C3)cn2)CC1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
The InChIKey is BWTSLEIMNBFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25-9-11-26(12-10-25)18-5-4-16(13-23-18)14-24-20(28)27-8-2-3-17(15-27)19-21-6-7-22-19/h4-7,13,17H,2-3,8-12,14-15H2,1H3,(H,21,22)(H,24,28).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166188674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).