3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide

C14H24N4O — CID 125448591

IUPAC3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N[C@H](C)C1CCN(C)CC1
InChIInChI=1S/C14H24N4O/c1-10(12-5-7-17(3)8-6-12)16-14(19)13-11(2)15-9-18(13)4/h9-10,12H,5-8H2,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyCMKWLEFUQWHHNX-SNVBAGLBSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds3

About 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide

3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide (PubChem CID 125448591) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
PubChem CID125448591
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)N[C@H](C)C1CCN(C)CC1
InChIInChI=1S/C14H24N4O/c1-10(12-5-7-17(3)8-6-12)16-14(19)13-11(2)15-9-18(13)4/h9-10,12H,5-8H2,1-4H3,(H,16,19)/t10-/m1/s1
InChIKeyCMKWLEFUQWHHNX-SNVBAGLBSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide (CID 125448591) is 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide is Cc1ncn(C)c1C(=O)N[C@H](C)C1CCN(C)CC1.
What is the InChIKey of 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is CMKWLEFUQWHHNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(12-5-7-17(3)8-6-12)16-14(19)13-11(2)15-9-18(13)4/h9-10,12H,5-8H2,1-4H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R)-1-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 125448591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).