[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C11H18N4OS — CID 102983632

IUPAC[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H18N4OS/c1-2-4-9-10(17-14-13-9)11(16)15-6-3-5-8(12)7-15/h8H,2-7,12H2,1H3/t8-/m1/s1
InChIKeyRPLQQHYGJQLWAO-MRVPVSSYSA-N
MW254.36 g/mol
LogP1.05
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 102983632) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID102983632
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H18N4OS/c1-2-4-9-10(17-14-13-9)11(16)15-6-3-5-8(12)7-15/h8H,2-7,12H2,1H3/t8-/m1/s1
InChIKeyRPLQQHYGJQLWAO-MRVPVSSYSA-N
XLogP1.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 114960514
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
(4-amino-2-methylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 113284369
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 102983632) is [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is RPLQQHYGJQLWAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-4-9-10(17-14-13-9)11(16)15-6-3-5-8(12)7-15/h8H,2-7,12H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 102983632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).