2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone

C18H32N2O4 — CID 157039323

IUPAC2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CN2CC(O)C(O)C(O)C2)CC1
InChIInChI=1S/C18H32N2O4/c21-15-11-19(12-16(22)18(15)24)10-14-5-7-20(8-6-14)17(23)9-13-3-1-2-4-13/h13-16,18,21-22,24H,1-12H2
InChIKeyRBEXWUVNOSIDJW-UHFFFAOYSA-N
MW340.46 g/mol
LogP0.20
Rot. Bonds4

About 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 157039323) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID157039323
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CN2CC(O)C(O)C(O)C2)CC1
InChIInChI=1S/C18H32N2O4/c21-15-11-19(12-16(22)18(15)24)10-14-5-7-20(8-6-14)17(23)9-13-3-1-2-4-13/h13-16,18,21-22,24H,1-12H2
InChIKeyRBEXWUVNOSIDJW-UHFFFAOYSA-N
XLogP0.20
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 170319473
2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365
ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
N-cyclohexyl-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidine-1-carbothioamide
CID 166834272
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155872635
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784735
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol
CID 157039270

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 157039323) is 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(CN2CC(O)C(O)C(O)C2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is RBEXWUVNOSIDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c21-15-11-19(12-16(22)18(15)24)10-14-5-7-20(8-6-14)17(23)9-13-3-1-2-4-13/h13-16,18,21-22,24H,1-12H2.
What are the key properties of 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 340.46 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157039323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).