N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide

C12H20N4O — CID 110467506

IUPACN,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C2CCN(C)CC2)[nH]1
InChIInChI=1S/C12H20N4O/c1-9-13-8-11(14-9)12(17)16(3)10-4-6-15(2)7-5-10/h8,10H,4-7H2,1-3H3,(H,13,14)
InChIKeySOVMAJLQPHUOCT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.88
Rot. Bonds2

About N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide

N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide (PubChem CID 110467506) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
PubChem CID110467506
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N(C)C2CCN(C)CC2)[nH]1
InChIInChI=1S/C12H20N4O/c1-9-13-8-11(14-9)12(17)16(3)10-4-6-15(2)7-5-10/h8,10H,4-7H2,1-3H3,(H,13,14)
InChIKeySOVMAJLQPHUOCT-UHFFFAOYSA-N
XLogP0.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide (CID 110467506) is N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)N(C)C2CCN(C)CC2)[nH]1.
What is the InChIKey of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The InChIKey is SOVMAJLQPHUOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-13-8-11(14-9)12(17)16(3)10-4-6-15(2)7-5-10/h8,10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).