N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide

C12H20N4O — CID 113430849

IUPACN-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1(C)CCCCN1
InChIInChI=1S/C12H20N4O/c1-12(5-3-4-6-15-12)11(17)16(2)9-10-13-7-8-14-10/h7-8,15H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyIANHZDBNQYWRKH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide (PubChem CID 113430849) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide
PubChem CID113430849
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1(C)CCCCN1
InChIInChI=1S/C12H20N4O/c1-12(5-3-4-6-15-12)11(17)16(2)9-10-13-7-8-14-10/h7-8,15H,3-6,9H2,1-2H3,(H,13,14)
InChIKeyIANHZDBNQYWRKH-UHFFFAOYSA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 64516909
N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
CID 64530559
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80590807
N,2-dimethyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 113368557
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-[1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 64512570
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(5-hydroxypentyl)-N,2-dimethylpiperidine-2-carboxamide
CID 107199154
1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436956
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 104597142
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide (CID 113430849) is N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1(C)CCCCN1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide?
The InChIKey is IANHZDBNQYWRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(5-3-4-6-15-12)11(17)16(2)9-10-13-7-8-14-10/h7-8,15H,3-6,9H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 113430849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).