ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate

C13H19N5O3 — CID 37002369

IUPACethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H19N5O3/c1-2-21-13(20)17-16-12(19)10-4-3-7-18(9-10)11-8-14-5-6-15-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyWGFHFTLGWVLHGF-SNVBAGLBSA-N
MW293.33 g/mol
LogP0.47
Rot. Bonds3

About ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate

ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate (PubChem CID 37002369) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
PubChem CID37002369
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H19N5O3/c1-2-21-13(20)17-16-12(19)10-4-3-7-18(9-10)11-8-14-5-6-15-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyWGFHFTLGWVLHGF-SNVBAGLBSA-N
XLogP0.47
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
CID 51113453
ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 32647962
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate?
The IUPAC name of ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate (CID 37002369) is ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate?
The canonical SMILES for ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate is CCOC(=O)NNC(=O)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate?
The InChIKey is WGFHFTLGWVLHGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-21-13(20)17-16-12(19)10-4-3-7-18(9-10)11-8-14-5-6-15-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1.
What are the key properties of ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate?
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate has a molecular weight of 293.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate is sourced from PubChem (CID 37002369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).