2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide

C12H20N4O — CID 138993912

IUPAC2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H20N4O/c1-10-14-9-11(15-10)12(17)13-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyWTQBYSGRGSYJQX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds4

About 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide

2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide (PubChem CID 138993912) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
PubChem CID138993912
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCCC2)[nH]1
InChIInChI=1S/C12H20N4O/c1-10-14-9-11(15-10)12(17)13-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyWTQBYSGRGSYJQX-UHFFFAOYSA-N
XLogP0.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
CID 110467554
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
6-methyl-N-(2-piperidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 173159505
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732753
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 54967566
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide (CID 138993912) is 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCCN2CCCCC2)[nH]1.
What is the InChIKey of 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide?
The InChIKey is WTQBYSGRGSYJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-14-9-11(15-10)12(17)13-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide?
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138993912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).