1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone

C21H30N2O4 — CID 72908249

IUPAC1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(C(=O)N2CCC(O)(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H30N2O4/c1-27-16-19(24)22-11-7-18(8-12-22)20(25)23-13-9-21(26,10-14-23)15-17-5-3-2-4-6-17/h2-6,18,26H,7-16H2,1H3
InChIKeyJRKFITKCPQVAPY-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone

1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 72908249) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone
PubChem CID72908249
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(C(=O)N2CCC(O)(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H30N2O4/c1-27-16-19(24)22-11-7-18(8-12-22)20(25)23-13-9-21(26,10-14-23)15-17-5-3-2-4-6-17/h2-6,18,26H,7-16H2,1H3
InChIKeyJRKFITKCPQVAPY-UHFFFAOYSA-N
XLogP1.47
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone (CID 72908249) is 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(C(=O)N2CCC(O)(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is JRKFITKCPQVAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-27-16-19(24)22-11-7-18(8-12-22)20(25)23-13-9-21(26,10-14-23)15-17-5-3-2-4-6-17/h2-6,18,26H,7-16H2,1H3.
What are the key properties of 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone?
1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 374.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 72908249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).