1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one

C11H18N4OS — CID 115587369

IUPAC1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1csnn1)N1CCCCC1
InChIInChI=1S/C11H18N4OS/c16-11(15-6-2-1-3-7-15)4-5-12-8-10-9-17-14-13-10/h9,12H,1-8H2
InChIKeyFYNHVZSBSWOBML-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.03
Rot. Bonds5

About 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one

1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one (PubChem CID 115587369) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
PubChem CID115587369
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1csnn1)N1CCCCC1
InChIInChI=1S/C11H18N4OS/c16-11(15-6-2-1-3-7-15)4-5-12-8-10-9-17-14-13-10/h9,12H,1-8H2
InChIKeyFYNHVZSBSWOBML-UHFFFAOYSA-N
XLogP1.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994
3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79775943
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 102881036

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one (CID 115587369) is 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one is O=C(CCNCc1csnn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
The InChIKey is FYNHVZSBSWOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c16-11(15-6-2-1-3-7-15)4-5-12-8-10-9-17-14-13-10/h9,12H,1-8H2.
What are the key properties of 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one has a molecular weight of 254.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one is sourced from PubChem (CID 115587369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).