3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide

C20H30ClN3O4S — CID 146372943

IUPAC3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
SMILESCC(C)C(CO)NC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C20H30ClN3O4S/c1-14(2)19(13-25)22-20(26)23-11-18(12-23)29(27,28)24-9-7-16(8-10-24)15-3-5-17(21)6-4-15/h3-6,14,16,18-19,25H,7-13H2,1-2H3,(H,22,26)
InChIKeyOOOFTNZBBFCUNW-UHFFFAOYSA-N
MW444.00 g/mol
LogP2.26
Rot. Bonds6

About 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide

3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide (PubChem CID 146372943) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
PubChem CID146372943
Molecular FormulaC20H30ClN3O4S
Molecular Weight444.00 g/mol
Exact Mass443.16
IUPAC Name3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
SMILESCC(C)C(CO)NC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C20H30ClN3O4S/c1-14(2)19(13-25)22-20(26)23-11-18(12-23)29(27,28)24-9-7-16(8-10-24)15-3-5-17(21)6-4-15/h3-6,14,16,18-19,25H,7-13H2,1-2H3,(H,22,26)
InChIKeyOOOFTNZBBFCUNW-UHFFFAOYSA-N
XLogP2.26
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
CID 146372904
N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 153452692
3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 156202074
N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629298
3-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]azetidine-1-carboxamide
CID 60128242
3-(4-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]azetidine-1-carboxamide
CID 60128249
[3-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 146372770
3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide
CID 146372778
[3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 146372805
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 146372942
N-tert-butyl-3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
CID 146373057
[3-[4-(4-Chlorophenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-morpholin-4-ylmethanone
CID 146373200

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide (CID 146372943) is 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide is CC(C)C(CO)NC(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide?
The InChIKey is OOOFTNZBBFCUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c1-14(2)19(13-25)22-20(26)23-11-18(12-23)29(27,28)24-9-7-16(8-10-24)15-3-5-17(21)6-4-15/h3-6,14,16,18-19,25H,7-13H2,1-2H3,(H,22,26).
What are the key properties of 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide?
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide has a molecular weight of 444.00 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-(1-hydroxy-3-methylbutan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 146372943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).