N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide

C11H19N3O3 — CID 106134338

IUPACN-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCC2CCC(O)C2)CN1
InChIInChI=1S/C11H19N3O3/c15-8-2-1-7(3-8)4-14-11(17)9-5-13-10(16)6-12-9/h7-9,12,15H,1-6H2,(H,13,16)(H,14,17)
InChIKeyWVTTUPOMBQGMHR-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.65
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 106134338) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID106134338
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCC2CCC(O)C2)CN1
InChIInChI=1S/C11H19N3O3/c15-8-2-1-7(3-8)4-14-11(17)9-5-13-10(16)6-12-9/h7-9,12,15H,1-6H2,(H,13,16)(H,14,17)
InChIKeyWVTTUPOMBQGMHR-UHFFFAOYSA-N
XLogP-1.65
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide (CID 106134338) is N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)NCC2CCC(O)C2)CN1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is WVTTUPOMBQGMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-8-2-1-7(3-8)4-14-11(17)9-5-13-10(16)6-12-9/h7-9,12,15H,1-6H2,(H,13,16)(H,14,17).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 106134338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).