2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

C19H31N5O2 — CID 75424556

IUPAC2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESO=C(CN1CCCC(c2ncc[nH]2)C1)NCCCN1CCCCCC1=O
InChIInChI=1S/C19H31N5O2/c25-17(20-8-5-13-24-12-3-1-2-7-18(24)26)15-23-11-4-6-16(14-23)19-21-9-10-22-19/h9-10,16H,1-8,11-15H2,(H,20,25)(H,21,22)
InChIKeyGWSOJNKCTRQHRK-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.50
Rot. Bonds7

About 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (PubChem CID 75424556) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
PubChem CID75424556
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESO=C(CN1CCCC(c2ncc[nH]2)C1)NCCCN1CCCCCC1=O
InChIInChI=1S/C19H31N5O2/c25-17(20-8-5-13-24-12-3-1-2-7-18(24)26)15-23-11-4-6-16(14-23)19-21-9-10-22-19/h9-10,16H,1-8,11-15H2,(H,20,25)(H,21,22)
InChIKeyGWSOJNKCTRQHRK-UHFFFAOYSA-N
XLogP1.50
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.50
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 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (CID 75424556) is 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is O=C(CN1CCCC(c2ncc[nH]2)C1)NCCCN1CCCCCC1=O.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The InChIKey is GWSOJNKCTRQHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c25-17(20-8-5-13-24-12-3-1-2-7-18(24)26)15-23-11-4-6-16(14-23)19-21-9-10-22-19/h9-10,16H,1-8,11-15H2,(H,20,25)(H,21,22).
What are the key properties of 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is sourced from PubChem (CID 75424556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).