4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide

C14H24N4O — CID 71781144

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1nccn1CC1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C14H24N4O/c1-11(2)16-14(19)17-7-4-13(5-8-17)10-18-9-6-15-12(18)3/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,16,19)
InChIKeyHMCLHVMXHMBETD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds3

About 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71781144) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID71781144
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCc1nccn1CC1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C14H24N4O/c1-11(2)16-14(19)17-7-4-13(5-8-17)10-18-9-6-15-12(18)3/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,16,19)
InChIKeyHMCLHVMXHMBETD-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
3-(1H-imidazol-1-yl)piperidine
CID 50986280
3-(2-ethyl-1H-imidazol-1-yl)piperidine
CID 54592639
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
3-[2-(propan-2-yl)-1H-imidazol-1-yl]piperidine
CID 54592640
N-Hexyl-1H-imidazole-1-carboxamide
CID 19871863
2-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 63970659
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine dihydrochloride
CID 45595304
3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 71781144) is 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide is Cc1nccn1CC1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is HMCLHVMXHMBETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)16-14(19)17-7-4-13(5-8-17)10-18-9-6-15-12(18)3/h6,9,11,13H,4-5,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71781144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).