N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide

C14H24N4O2 — CID 77086954

IUPACN-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCOCCn1ccnc1CN1CCCC(NC(C)=O)C1
InChIInChI=1S/C14H24N4O2/c1-12(19)16-13-4-3-6-17(10-13)11-14-15-5-7-18(14)8-9-20-2/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,16,19)
InChIKeyRTYZJOMQPLUCLR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.63
Rot. Bonds6

About N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide

N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 77086954) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide
PubChem CID77086954
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCOCCn1ccnc1CN1CCCC(NC(C)=O)C1
InChIInChI=1S/C14H24N4O2/c1-12(19)16-13-4-3-6-17(10-13)11-14-15-5-7-18(14)8-9-20-2/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,16,19)
InChIKeyRTYZJOMQPLUCLR-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide (CID 77086954) is N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide is COCCn1ccnc1CN1CCCC(NC(C)=O)C1.
What is the InChIKey of N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is RTYZJOMQPLUCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12(19)16-13-4-3-6-17(10-13)11-14-15-5-7-18(14)8-9-20-2/h5,7,13H,3-4,6,8-11H2,1-2H3,(H,16,19).
What are the key properties of N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide?
N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 77086954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).