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

C14H19N3O3 — CID 107434801

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C14H19N3O3/c1-20-9-11-5-3-2-4-10(11)6-17-14(19)12-7-16-13(18)8-15-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyRXCQNZKNRQHDAF-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.46
Rot. Bonds5

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

N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434801) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434801
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C14H19N3O3/c1-20-9-11-5-3-2-4-10(11)6-17-14(19)12-7-16-13(18)8-15-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyRXCQNZKNRQHDAF-UHFFFAOYSA-N
XLogP-0.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide (CID 107434801) is N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide is COCc1ccccc1CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is RXCQNZKNRQHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-9-11-5-3-2-4-10(11)6-17-14(19)12-7-16-13(18)8-15-12/h2-5,12,15H,6-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).