5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one

C14H22N4O2 — CID 63241054

IUPAC5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)NCC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)15-6-11-4-3-5-18(9-11)14(20)12-7-17-13(19)8-16-12/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyMJAOLNCXYIUYGA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds4

About 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 63241054) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID63241054
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)NCC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)15-6-11-4-3-5-18(9-11)14(20)12-7-17-13(19)8-16-12/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyMJAOLNCXYIUYGA-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 63241054) is 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one is CC(C)NCC1CCCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is MJAOLNCXYIUYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)15-6-11-4-3-5-18(9-11)14(20)12-7-17-13(19)8-16-12/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 63241054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).