N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide

C10H19N3O3 — CID 107437656

IUPACN-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C10H19N3O3/c1-7(14)3-4-13(2)10(16)8-5-12-9(15)6-11-8/h7-8,11,14H,3-6H2,1-2H3,(H,12,15)
InChIKeyBFIWIINHCHTJDM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.70
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide

N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide (PubChem CID 107437656) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
PubChem CID107437656
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C10H19N3O3/c1-7(14)3-4-13(2)10(16)8-5-12-9(15)6-11-8/h7-8,11,14H,3-6H2,1-2H3,(H,12,15)
InChIKeyBFIWIINHCHTJDM-UHFFFAOYSA-N
XLogP-1.70
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide
CID 107436470
N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
N-methyl-5-oxo-N-(2-phenylethyl)piperazine-2-carboxamide
CID 107435243
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435385
N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 115734496
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide (CID 107437656) is N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide is CC(O)CCN(C)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The InChIKey is BFIWIINHCHTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(14)3-4-13(2)10(16)8-5-12-9(15)6-11-8/h7-8,11,14H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide?
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).