(3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone

C9H17N3O2 — CID 19422435

IUPAC(3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(O)C1
InChIInChI=1S/C9H17N3O2/c13-8-1-4-12(7-8)9(14)11-5-2-10-3-6-11/h8,10,13H,1-7H2
InChIKeySNMSNEQANGJCBZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.92
Rot. Bonds

About (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone

(3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone (PubChem CID 19422435) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone
PubChem CID19422435
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(O)C1
InChIInChI=1S/C9H17N3O2/c13-8-1-4-12(7-8)9(14)11-5-2-10-3-6-11/h8,10,13H,1-7H2
InChIKeySNMSNEQANGJCBZ-UHFFFAOYSA-N
XLogP-0.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone (CID 19422435) is (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone?
The InChIKey is SNMSNEQANGJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-8-1-4-12(7-8)9(14)11-5-2-10-3-6-11/h8,10,13H,1-7H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone?
(3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone has a molecular weight of 199.25 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 19422435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).