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

C16H28N4O — CID 110203836

IUPACN-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C16H28N4O/c1-5-17-16(21)19-8-6-7-14(11-19)9-15-18-10-13(4)20(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3,(H,17,21)
InChIKeyMGLQKERRNZRKAT-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.76
Rot. Bonds4

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

N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 110203836) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID110203836
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1
InChIInChI=1S/C16H28N4O/c1-5-17-16(21)19-8-6-7-14(11-19)9-15-18-10-13(4)20(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3,(H,17,21)
InChIKeyMGLQKERRNZRKAT-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 110203836) is N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(Cc2ncc(C)n2C(C)C)C1.
What is the InChIKey of N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MGLQKERRNZRKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-16(21)19-8-6-7-14(11-19)9-15-18-10-13(4)20(15)12(2)3/h10,12,14H,5-9,11H2,1-4H3,(H,17,21).
What are the key properties of N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide?
N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110203836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).