N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C18H30N4O2 — CID 72923453

IUPACN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1nccn1CCN(C)C(=O)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H30N4O2/c1-15-19-7-9-21(15)11-10-20(2)18(23)16-4-3-8-22(14-16)17-5-12-24-13-6-17/h7,9,16-17H,3-6,8,10-14H2,1-2H3
InChIKeyNXYXXTMNJVJTKA-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide

N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 72923453) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID72923453
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1nccn1CCN(C)C(=O)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H30N4O2/c1-15-19-7-9-21(15)11-10-20(2)18(23)16-4-3-8-22(14-16)17-5-12-24-13-6-17/h7,9,16-17H,3-6,8,10-14H2,1-2H3
InChIKeyNXYXXTMNJVJTKA-UHFFFAOYSA-N
XLogP1.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 72923453) is N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide is Cc1nccn1CCN(C)C(=O)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is NXYXXTMNJVJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-19-7-9-21(15)11-10-20(2)18(23)16-4-3-8-22(14-16)17-5-12-24-13-6-17/h7,9,16-17H,3-6,8,10-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 72923453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).