N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide

C13H22N4O — CID 91832048

IUPACN-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCCn1cncc1CN1CCCC(NC(C)=O)C1
InChIInChI=1S/C13H22N4O/c1-3-17-10-14-7-13(17)9-16-6-4-5-12(8-16)15-11(2)18/h7,10,12H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyUTXCLVPFEUDSHP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds4

About N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide

N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 91832048) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
PubChem CID91832048
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCCn1cncc1CN1CCCC(NC(C)=O)C1
InChIInChI=1S/C13H22N4O/c1-3-17-10-14-7-13(17)9-16-6-4-5-12(8-16)15-11(2)18/h7,10,12H,3-6,8-9H2,1-2H3,(H,15,18)
InChIKeyUTXCLVPFEUDSHP-UHFFFAOYSA-N
XLogP1.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide (CID 91832048) is N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide is CCn1cncc1CN1CCCC(NC(C)=O)C1.
What is the InChIKey of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is UTXCLVPFEUDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17-10-14-7-13(17)9-16-6-4-5-12(8-16)15-11(2)18/h7,10,12H,3-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91832048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).