N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide

C12H16N4O3 — CID 107434749

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H16N4O3/c1-19-12-8(3-2-4-13-12)5-16-11(18)9-6-15-10(17)7-14-9/h2-4,9,14H,5-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyRSAFLKMVWKKLPH-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.21
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434749) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434749
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H16N4O3/c1-19-12-8(3-2-4-13-12)5-16-11(18)9-6-15-10(17)7-14-9/h2-4,9,14H,5-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyRSAFLKMVWKKLPH-UHFFFAOYSA-N
XLogP-1.21
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxy-3-pyridinyl)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-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 64824935
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
CID 107434171
(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 25288592
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47160065

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide (CID 107434749) is N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide is COc1ncccc1CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is RSAFLKMVWKKLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-12-8(3-2-4-13-12)5-16-11(18)9-6-15-10(17)7-14-9/h2-4,9,14H,5-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).