2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone

C19H34N2O3 — CID 157039414

IUPAC2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C19H34N2O3/c22-14-17-12-18(23)7-10-21(17)13-16-5-8-20(9-6-16)19(24)11-15-3-1-2-4-15/h15-18,22-23H,1-14H2
InChIKeyASOPQANDSQPTHG-UHFFFAOYSA-N
MW338.49 g/mol
LogP1.62
Rot. Bonds5

About 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 157039414) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID157039414
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C19H34N2O3/c22-14-17-12-18(23)7-10-21(17)13-16-5-8-20(9-6-16)19(24)11-15-3-1-2-4-15/h15-18,22-23H,1-14H2
InChIKeyASOPQANDSQPTHG-UHFFFAOYSA-N
XLogP1.62
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone (CID 157039414) is 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is ASOPQANDSQPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c22-14-17-12-18(23)7-10-21(17)13-16-5-8-20(9-6-16)19(24)11-15-3-1-2-4-15/h15-18,22-23H,1-14H2.
What are the key properties of 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 338.49 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157039414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).