2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

C18H28N4O2 — CID 97277670

IUPAC2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C18H28N4O2/c19-16(23)13-21-11-9-20-17(21)15-8-5-10-22(12-15)18(24)14-6-3-1-2-4-7-14/h9,11,14-15H,1-8,10,12-13H2,(H2,19,23)/t15-/m0/s1
InChIKeyOBPAMJLILYFXGQ-HNNXBMFYSA-N
MW332.45 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97277670) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97277670
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C18H28N4O2/c19-16(23)13-21-11-9-20-17(21)15-8-5-10-22(12-15)18(24)14-6-3-1-2-4-7-14/h9,11,14-15H,1-8,10,12-13H2,(H2,19,23)/t15-/m0/s1
InChIKeyOBPAMJLILYFXGQ-HNNXBMFYSA-N
XLogP2.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97277670) is 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)C2CCCCCC2)C1.
What is the InChIKey of 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is OBPAMJLILYFXGQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c19-16(23)13-21-11-9-20-17(21)15-8-5-10-22(12-15)18(24)14-6-3-1-2-4-7-14/h9,11,14-15H,1-8,10,12-13H2,(H2,19,23)/t15-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(cycloheptanecarbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97277670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).