3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one

C13H22N4O2 — CID 79735589

IUPAC3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(OCCCN)CC2)c1=O
InChIInChI=1S/C13H22N4O2/c1-16-9-6-15-12(13(16)18)17-7-3-11(4-8-17)19-10-2-5-14/h6,9,11H,2-5,7-8,10,14H2,1H3
InChIKeyURNZCRCKCPPKLP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.11
Rot. Bonds5

About 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 79735589) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID79735589
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(OCCCN)CC2)c1=O
InChIInChI=1S/C13H22N4O2/c1-16-9-6-15-12(13(16)18)17-7-3-11(4-8-17)19-10-2-5-14/h6,9,11H,2-5,7-8,10,14H2,1H3
InChIKeyURNZCRCKCPPKLP-UHFFFAOYSA-N
XLogP0.11
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[4-(2-chloroethoxy)piperidin-1-yl]-1-propylpyrazin-2-one
CID 82701749
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
CID 79734904
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 115355389

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one (CID 79735589) is 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(OCCCN)CC2)c1=O.
What is the InChIKey of 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is URNZCRCKCPPKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-9-6-15-12(13(16)18)17-7-3-11(4-8-17)19-10-2-5-14/h6,9,11H,2-5,7-8,10,14H2,1H3.
What are the key properties of 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 79735589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).