3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one

C13H22N4O — CID 106641472

IUPAC3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
SMILESCC(C)N(CC1CCCCN1)c1ncc[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)17(9-11-5-3-4-6-14-11)12-13(18)16-8-7-15-12/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyLSCRQLMVQQEPTH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds4

About 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one

3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one (PubChem CID 106641472) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
PubChem CID106641472
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
SMILESCC(C)N(CC1CCCCN1)c1ncc[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)17(9-11-5-3-4-6-14-11)12-13(18)16-8-7-15-12/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyLSCRQLMVQQEPTH-UHFFFAOYSA-N
XLogP1.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
5-amino-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137004380
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106641336
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
CID 114571206
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 106641515
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618965

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one (CID 106641472) is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one is CC(C)N(CC1CCCCN1)c1ncc[nH]c1=O.
What is the InChIKey of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one?
The InChIKey is LSCRQLMVQQEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17(9-11-5-3-4-6-14-11)12-13(18)16-8-7-15-12/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,16,18).
What are the key properties of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one?
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 106641472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).