N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

C20H34N4O2 — CID 71914042

IUPACN-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCn1ccnc1C(O)C1CCCN(CC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C20H34N4O2/c1-23-13-11-21-20(23)19(26)16-8-7-12-24(14-16)15-18(25)22-17-9-5-3-2-4-6-10-17/h11,13,16-17,19,26H,2-10,12,14-15H2,1H3,(H,22,25)
InChIKeyXPVRHHJCHQCMGR-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.39
Rot. Bonds5

About N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 71914042) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
PubChem CID71914042
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
SMILESCn1ccnc1C(O)C1CCCN(CC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C20H34N4O2/c1-23-13-11-21-20(23)19(26)16-8-7-12-24(14-16)15-18(25)22-17-9-5-3-2-4-6-10-17/h11,13,16-17,19,26H,2-10,12,14-15H2,1H3,(H,22,25)
InChIKeyXPVRHHJCHQCMGR-UHFFFAOYSA-N
XLogP2.39
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (CID 71914042) is N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is Cn1ccnc1C(O)C1CCCN(CC(=O)NC2CCCCCCC2)C1.
What is the InChIKey of N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is XPVRHHJCHQCMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-23-13-11-21-20(23)19(26)16-8-7-12-24(14-16)15-18(25)22-17-9-5-3-2-4-6-10-17/h11,13,16-17,19,26H,2-10,12,14-15H2,1H3,(H,22,25).
What are the key properties of N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?
N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 362.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71914042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).