[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C13H22N4OS — CID 114960514

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C13H22N4OS/c1-3-4-11-12(19-16-15-11)13(18)17-6-5-9(2)10(7-14)8-17/h9-10H,3-8,14H2,1-2H3
InChIKeyQXEIEVIENHZUNM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.55
Rot. Bonds4

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 114960514) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID114960514
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C13H22N4OS/c1-3-4-11-12(19-16-15-11)13(18)17-6-5-9(2)10(7-14)8-17/h9-10H,3-8,14H2,1-2H3
InChIKeyQXEIEVIENHZUNM-UHFFFAOYSA-N
XLogP1.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 114960514) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(C)C(CN)C1.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is QXEIEVIENHZUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-4-11-12(19-16-15-11)13(18)17-6-5-9(2)10(7-14)8-17/h9-10H,3-8,14H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 114960514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).