N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide

C13H17N3O3 — CID 107434107

IUPACN-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
SMILESCOCc1cccc(NC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C13H17N3O3/c1-19-8-9-3-2-4-10(5-9)16-13(18)11-6-15-12(17)7-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySEULGMIJTZAANU-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.14
Rot. Bonds4

About N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide

N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434107) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434107
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
SMILESCOCc1cccc(NC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C13H17N3O3/c1-19-8-9-3-2-4-10(5-9)16-13(18)11-6-15-12(17)7-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySEULGMIJTZAANU-UHFFFAOYSA-N
XLogP-0.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155814
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide (CID 107434107) is N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide is COCc1cccc(NC(=O)C2CNC(=O)CN2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is SEULGMIJTZAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-8-9-3-2-4-10(5-9)16-13(18)11-6-15-12(17)7-14-11/h2-5,11,14H,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide?
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).