N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide

C13H19N5O3 — CID 63252199

IUPACN-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C13H19N5O3/c14-3-4-15-12(20)9-2-1-5-18(8-9)13(21)10-6-17-11(19)7-16-10/h6-7,9H,1-5,8,14H2,(H,15,20)(H,17,19)
InChIKeyVVQQQXUXKJZNDK-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.30
Rot. Bonds4

About N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 63252199) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide
PubChem CID63252199
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C13H19N5O3/c14-3-4-15-12(20)9-2-1-5-18(8-9)13(21)10-6-17-11(19)7-16-10/h6-7,9H,1-5,8,14H2,(H,15,20)(H,17,19)
InChIKeyVVQQQXUXKJZNDK-UHFFFAOYSA-N
XLogP-1.30
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide (CID 63252199) is N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is VVQQQXUXKJZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-3-4-15-12(20)9-2-1-5-18(8-9)13(21)10-6-17-11(19)7-16-10/h6-7,9H,1-5,8,14H2,(H,15,20)(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 63252199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).