N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide

C14H20N4O3 — CID 146075809

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O3/c1-3-21-13-11(5-4-6-16-13)9-17-14(20)18-8-7-15-12(19)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyZRDWYOWPMRXTPP-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.51
Rot. Bonds4

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 146075809) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID146075809
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O3/c1-3-21-13-11(5-4-6-16-13)9-17-14(20)18-8-7-15-12(19)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyZRDWYOWPMRXTPP-UHFFFAOYSA-N
XLogP0.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51959608
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94171868
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
N-[(2-ethoxy-3-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210891
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
CID 63602847
1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 94030850
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30832492

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide (CID 146075809) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide is CCOc1ncccc1CNC(=O)N1CCNC(=O)C1C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is ZRDWYOWPMRXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-21-13-11(5-4-6-16-13)9-17-14(20)18-8-7-15-12(19)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 146075809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).