(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C11H16ClN3OS — CID 65207991

IUPAC(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C11H16ClN3OS/c1-2-3-9-10(17-14-13-9)11(16)15-6-4-8(12)5-7-15/h8H,2-7H2,1H3
InChIKeyMNTPSWHBDOODOR-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.33
Rot. Bonds3

About (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 65207991) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID65207991
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C11H16ClN3OS/c1-2-3-9-10(17-14-13-9)11(16)15-6-4-8(12)5-7-15/h8H,2-7H2,1H3
InChIKeyMNTPSWHBDOODOR-UHFFFAOYSA-N
XLogP2.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
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-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 71805668
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 114960514
(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205088
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 65206219

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 65207991) is (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is MNTPSWHBDOODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-2-3-9-10(17-14-13-9)11(16)15-6-4-8(12)5-7-15/h8H,2-7H2,1H3.
What are the key properties of (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 273.79 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65207991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).