N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H28N4O4S — CID 155512599

IUPACN-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC1CCC(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1
InChIInChI=1S/C18H28N4O4S/c19-13-3-5-15(6-4-13)27(24,25)22-9-7-14(8-10-22)20-18(23)16-11-17(26-21-16)12-1-2-12/h11-15H,1-10,19H2,(H,20,23)
InChIKeyRWIMJVNJGHMMOP-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.35
Rot. Bonds5

About N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 155512599) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID155512599
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC1CCC(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1
InChIInChI=1S/C18H28N4O4S/c19-13-3-5-15(6-4-13)27(24,25)22-9-7-14(8-10-22)20-18(23)16-11-17(26-21-16)12-1-2-12/h11-15H,1-10,19H2,(H,20,23)
InChIKeyRWIMJVNJGHMMOP-UHFFFAOYSA-N
XLogP1.35
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 118947282
Cym-5541
CID 17253208
N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 132242493
5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
CID 145722469
N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145722470
5-cyclopropyl-N-(1-methanesulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 45808906
5-cyclopropyl-N-[1-[[4-[methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155522833
5-cyclopropyl-N-[1-[[4-(dimethylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155527784
N-[1-[[4-(benzylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 155531309
5-cyclopropyl-N-[1-[[4-[(3-fluorophenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155535773
5-cyclopropyl-N-[1-[[4-[(2-methylphenyl)methylamino]cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155547477
5-cyclopropyl-N-[1-[[4-(3,3,3-trifluoropropylamino)cyclohexyl]methylsulfonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 155566734

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 155512599) is N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NC1CCC(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1.
What is the InChIKey of N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is RWIMJVNJGHMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c19-13-3-5-15(6-4-13)27(24,25)22-9-7-14(8-10-22)20-18(23)16-11-17(26-21-16)12-1-2-12/h11-15H,1-10,19H2,(H,20,23).
What are the key properties of N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminocyclohexyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155512599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).