3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C15H26N4O2 — CID 42194150

IUPAC3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C15H26N4O2/c1-21-11-8-18-15(20)3-2-13-4-9-19(10-5-13)12-14-16-6-7-17-14/h6-7,13H,2-5,8-12H2,1H3,(H,16,17)(H,18,20)
InChIKeyCFLFPGNSXRJRBQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.16
Rot. Bonds8

About 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 42194150) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID42194150
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C15H26N4O2/c1-21-11-8-18-15(20)3-2-13-4-9-19(10-5-13)12-14-16-6-7-17-14/h6-7,13H,2-5,8-12H2,1H3,(H,16,17)(H,18,20)
InChIKeyCFLFPGNSXRJRBQ-UHFFFAOYSA-N
XLogP1.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 42194150) is 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is CFLFPGNSXRJRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-21-11-8-18-15(20)3-2-13-4-9-19(10-5-13)12-14-16-6-7-17-14/h6-7,13H,2-5,8-12H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42194150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).