N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide

C15H26N4O — CID 110203838

IUPACN-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H26N4O/c1-11(2)19-12(3)9-17-14(19)8-13-6-5-7-18(10-13)15(20)16-4/h9,11,13H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyIJKVSTDVADGBJQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide

N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 110203838) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID110203838
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C15H26N4O/c1-11(2)19-12(3)9-17-14(19)8-13-6-5-7-18(10-13)15(20)16-4/h9,11,13H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyIJKVSTDVADGBJQ-UHFFFAOYSA-N
XLogP2.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 110203838) is N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide is CNC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1.
What is the InChIKey of N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is IJKVSTDVADGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-12(3)9-17-14(19)8-13-6-5-7-18(10-13)15(20)16-4/h9,11,13H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110203838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).