N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide

C19H26FN3O3S — CID 146373020

IUPACN-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide
SMILESCN(C(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)C1)C1CC1
InChIInChI=1S/C19H26FN3O3S/c1-21(17-6-7-17)19(24)22-12-18(13-22)27(25,26)23-10-8-15(9-11-23)14-2-4-16(20)5-3-14/h2-5,15,17-18H,6-13H2,1H3
InChIKeyCYYCTZKSVFRMGD-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.23
Rot. Bonds4

About N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide

N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide (PubChem CID 146373020) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide
PubChem CID146373020
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC NameN-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide
SMILESCN(C(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)C1)C1CC1
InChIInChI=1S/C19H26FN3O3S/c1-21(17-6-7-17)19(24)22-12-18(13-22)27(25,26)23-10-8-15(9-11-23)14-2-4-16(20)5-3-14/h2-5,15,17-18H,6-13H2,1H3
InChIKeyCYYCTZKSVFRMGD-UHFFFAOYSA-N
XLogP2.23
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
N-(tert-butyl)-4-(((2,5-difluorophenyl)methylsulfonamido)methyl)piperidine-1-carboxamide
CID 71796758
N-[1-(4-fluoro-2-methylphenyl)propan-2-yl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 132319995
N-[3-(2-fluorophenyl)cyclopentyl]-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 132972784
4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide
CID 164639229
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea
CID 10276161
1-(1-Cyclopropylsulfonylpiperidin-4-yl)-3-[4-(3,5-difluorophenyl)cyclohexyl]-1-methylurea
CID 10297963
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea
CID 20610128
4-benzyl-N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonylpiperidine-1-carboxamide
CID 22750835
N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
CID 22750983
N-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-4-(3-phenylpropyl)piperidine-1-carboxamide
CID 22751002
N-[(E)-2-(4-fluorophenyl)ethenyl]sulfonyl-4-(2-phenylethyl)piperidine-1-carboxamide
CID 22751146

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide (CID 146373020) is N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide is CN(C(=O)N1CC(S(=O)(=O)N2CCC(c3ccc(F)cc3)CC2)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide?
The InChIKey is CYYCTZKSVFRMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-21(17-6-7-17)19(24)22-12-18(13-22)27(25,26)23-10-8-15(9-11-23)14-2-4-16(20)5-3-14/h2-5,15,17-18H,6-13H2,1H3.
What are the key properties of N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide?
N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 146373020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).