N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide

C16H19ClN4O4S — CID 9189905

IUPACN-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1)N1CCCCC1
InChIInChI=1S/C16H19ClN4O4S/c17-13-6-4-12(5-7-13)11-26(23,24)16-20-19-14(25-16)10-18-15(22)21-8-2-1-3-9-21/h4-7H,1-3,8-11H2,(H,18,22)
InChIKeyVQCVWMWMSGDSHM-UHFFFAOYSA-N
MW398.87 g/mol
LogP2.39
Rot. Bonds5

About N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide

N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 9189905) has the molecular formula C16H19ClN4O4S and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide
PubChem CID9189905
Molecular FormulaC16H19ClN4O4S
Molecular Weight398.87 g/mol
Exact Mass398.08
IUPAC NameN-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1)N1CCCCC1
InChIInChI=1S/C16H19ClN4O4S/c17-13-6-4-12(5-7-13)11-26(23,24)16-20-19-14(25-16)10-18-15(22)21-8-2-1-3-9-21/h4-7H,1-3,8-11H2,(H,18,22)
InChIKeyVQCVWMWMSGDSHM-UHFFFAOYSA-N
XLogP2.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 9190179
N-[2-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]pyridine-2-carboxamide
CID 9190388
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
CID 9190213
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-[(4-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592378
N-benzylazonane-1-carboxamide
CID 130689649
N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 79161738
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide (CID 9189905) is N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide is O=C(NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1)N1CCCCC1.
What is the InChIKey of N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is VQCVWMWMSGDSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4S/c17-13-6-4-12(5-7-13)11-26(23,24)16-20-19-14(25-16)10-18-15(22)21-8-2-1-3-9-21/h4-7H,1-3,8-11H2,(H,18,22).
What are the key properties of N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide?
N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 9189905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).