(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C16H14ClF2N3O3S — CID 31543415

IUPAC(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1nnsc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H14ClF2N3O3S/c17-14-13(20-21-26-14)8-25-16(24)9-3-5-22(6-4-9)15(23)11-2-1-10(18)7-12(11)19/h1-2,7,9H,3-6,8H2
InChIKeyUANBESIMQGQHIZ-UHFFFAOYSA-N
MW401.82 g/mol
LogP3.07
Rot. Bonds4

About (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 31543415) has the molecular formula C16H14ClF2N3O3S and a molecular weight of 401.82 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID31543415
Molecular FormulaC16H14ClF2N3O3S
Molecular Weight401.82 g/mol
Exact Mass401.04
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1nnsc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H14ClF2N3O3S/c17-14-13(20-21-26-14)8-25-16(24)9-3-5-22(6-4-9)15(23)11-2-1-10(18)7-12(11)19/h1-2,7,9H,3-6,8H2
InChIKeyUANBESIMQGQHIZ-UHFFFAOYSA-N
XLogP3.07
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.82
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 35603787
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
(4-nitrophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30321129
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
(4-bromo-2-chlorophenyl) 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30432865
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 55375713
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 31543415) is (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is O=C(OCc1nnsc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is UANBESIMQGQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O3S/c17-14-13(20-21-26-14)8-25-16(24)9-3-5-22(6-4-9)15(23)11-2-1-10(18)7-12(11)19/h1-2,7,9H,3-6,8H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 401.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 31543415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).