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

C18H32N2O2 — CID 157039102

IUPAC2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C18H32N2O2/c21-17-7-9-19(10-8-17)14-16-5-11-20(12-6-16)18(22)13-15-3-1-2-4-15/h15-17,21H,1-14H2
InChIKeyFDRLQQVYWHWBCC-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.26
Rot. Bonds4

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

2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 157039102) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID157039102
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C18H32N2O2/c21-17-7-9-19(10-8-17)14-16-5-11-20(12-6-16)18(22)13-15-3-1-2-4-15/h15-17,21H,1-14H2
InChIKeyFDRLQQVYWHWBCC-UHFFFAOYSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 157039102) is 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is FDRLQQVYWHWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17-7-9-19(10-8-17)14-16-5-11-20(12-6-16)18(22)13-15-3-1-2-4-15/h15-17,21H,1-14H2.
What are the key properties of 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 308.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157039102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).