N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide

C15H21N3O3 — CID 107434865

IUPACN-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O3/c1-3-6-21-13-7-10(2)4-5-11(13)18-15(20)12-8-17-14(19)9-16-12/h4-5,7,12,16H,3,6,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMNYPCRMHFYZZQG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.81
Rot. Bonds5

About N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide

N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434865) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434865
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O3/c1-3-6-21-13-7-10(2)4-5-11(13)18-15(20)12-8-17-14(19)9-16-12/h4-5,7,12,16H,3,6,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMNYPCRMHFYZZQG-UHFFFAOYSA-N
XLogP0.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-2-propoxyphenyl)-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-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 107434659
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
(1S,6S)-6-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184908
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2S,5R)-5-(aminomethyl)-N-(4-methyl-2-propoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120787723

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide (CID 107434865) is N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide is CCCOc1cc(C)ccc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is MNYPCRMHFYZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-6-21-13-7-10(2)4-5-11(13)18-15(20)12-8-17-14(19)9-16-12/h4-5,7,12,16H,3,6,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide?
N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).