[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

C14H24N2O3 — CID 96500717

IUPAC[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C14H24N2O3/c17-13-3-1-2-12(13)15-5-7-16(8-6-15)14(18)11-4-9-19-10-11/h11-13,17H,1-10H2/t11-,12+,13-/m1/s1
InChIKeyQWIAKYYSCRGSEY-FRRDWIJNSA-N
MW268.36 g/mol
LogP0.08
Rot. Bonds2

About [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 96500717) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID96500717
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C14H24N2O3/c17-13-3-1-2-12(13)15-5-7-16(8-6-15)14(18)11-4-9-19-10-11/h11-13,17H,1-10H2/t11-,12+,13-/m1/s1
InChIKeyQWIAKYYSCRGSEY-FRRDWIJNSA-N
XLogP0.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone with MolForge

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Related Compounds

[1-(2-hydroxycyclohexyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 110883607
[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71932492
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 97015920
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 66203292
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 96500717) is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is O=C([C@@H]1CCOC1)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is QWIAKYYSCRGSEY-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13-3-1-2-12(13)15-5-7-16(8-6-15)14(18)11-4-9-19-10-11/h11-13,17H,1-10H2/t11-,12+,13-/m1/s1.
What are the key properties of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 268.36 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 96500717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).