N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide

C13H21N5O2 — CID 63252809

IUPACN-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide
SMILESCn1ccnc(N2CCCC(C(=O)NCCN)C2)c1=O
InChIInChI=1S/C13H21N5O2/c1-17-8-6-15-11(13(17)20)18-7-2-3-10(9-18)12(19)16-5-4-14/h6,8,10H,2-5,7,9,14H2,1H3,(H,16,19)
InChIKeyBJBNRMBBFBSEMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.93
Rot. Bonds4

About N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 63252809) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide
PubChem CID63252809
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide
SMILESCn1ccnc(N2CCCC(C(=O)NCCN)C2)c1=O
InChIInChI=1S/C13H21N5O2/c1-17-8-6-15-11(13(17)20)18-7-2-3-10(9-18)12(19)16-5-4-14/h6,8,10H,2-5,7,9,14H2,1H3,(H,16,19)
InChIKeyBJBNRMBBFBSEMG-UHFFFAOYSA-N
XLogP-0.93
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide (CID 63252809) is N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide is Cn1ccnc(N2CCCC(C(=O)NCCN)C2)c1=O.
What is the InChIKey of N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is BJBNRMBBFBSEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17-8-6-15-11(13(17)20)18-7-2-3-10(9-18)12(19)16-5-4-14/h6,8,10H,2-5,7,9,14H2,1H3,(H,16,19).
What are the key properties of N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63252809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).