(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C14H25N3O3 — CID 60937670

IUPAC(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC(O)CN1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H25N3O3/c18-11-8-13(15-9-11)14(19)17-5-3-16(4-6-17)10-12-2-1-7-20-12/h11-13,15,18H,1-10H2
InChIKeyVIIAFJDGBJBMMR-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.97
Rot. Bonds3

About (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60937670) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID60937670
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC(O)CN1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H25N3O3/c18-11-8-13(15-9-11)14(19)17-5-3-16(4-6-17)10-12-2-1-7-20-12/h11-13,15,18H,1-10H2
InChIKeyVIIAFJDGBJBMMR-UHFFFAOYSA-N
XLogP-0.97
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
(4-hydroxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082
(3-aminocyclopentyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 66008772
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 60937670) is (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CC(O)CN1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VIIAFJDGBJBMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-11-8-13(15-9-11)14(19)17-5-3-16(4-6-17)10-12-2-1-7-20-12/h11-13,15,18H,1-10H2.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 283.37 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60937670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).