1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one

C16H25N3OS — CID 75380796

IUPAC1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCNCc1cnc(C2CCC2)s1
InChIInChI=1S/C16H25N3OS/c20-15-7-1-2-9-19(15)10-4-8-17-11-14-12-18-16(21-14)13-5-3-6-13/h12-13,17H,1-11H2
InChIKeyNNBKQZGNDGYVKU-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.90
Rot. Bonds7

About 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one

1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one (PubChem CID 75380796) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
PubChem CID75380796
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
SMILESO=C1CCCCN1CCCNCc1cnc(C2CCC2)s1
InChIInChI=1S/C16H25N3OS/c20-15-7-1-2-9-19(15)10-4-8-17-11-14-12-18-16(21-14)13-5-3-6-13/h12-13,17H,1-11H2
InChIKeyNNBKQZGNDGYVKU-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one?
The IUPAC name of 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one (CID 75380796) is 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one?
The canonical SMILES for 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one is O=C1CCCCN1CCCNCc1cnc(C2CCC2)s1.
What is the InChIKey of 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one?
The InChIKey is NNBKQZGNDGYVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c20-15-7-1-2-9-19(15)10-4-8-17-11-14-12-18-16(21-14)13-5-3-6-13/h12-13,17H,1-11H2.
What are the key properties of 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one?
1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one has a molecular weight of 307.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one is sourced from PubChem (CID 75380796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).