(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C12H19N3O2 — CID 54873709

IUPAC(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C12H19N3O2/c1-2-3-14-4-6-15(7-5-14)12(17)11-8-10(16)9-13-11/h1,10-11,13,16H,3-9H2
InChIKeySTGUFYYATIWEEV-UHFFFAOYSA-N
MW237.30 g/mol
LogP-1.51
Rot. Bonds2

About (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 54873709) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID54873709
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C12H19N3O2/c1-2-3-14-4-6-15(7-5-14)12(17)11-8-10(16)9-13-11/h1,10-11,13,16H,3-9H2
InChIKeySTGUFYYATIWEEV-UHFFFAOYSA-N
XLogP-1.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[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-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61261071
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 93375251
azepan-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 64562668
[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119869082
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119843323
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119843322
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937670
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 54873709) is (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is STGUFYYATIWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-14-4-6-15(7-5-14)12(17)11-8-10(16)9-13-11/h1,10-11,13,16H,3-9H2.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 54873709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).