N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide

C18H24N4O4S — CID 154823090

IUPACN-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2oc(N3CCC(C(=O)NC4CCS(=O)(=O)CC4)CC3)nc2n1
InChIInChI=1S/C18H24N4O4S/c1-12-2-3-15-16(19-12)21-18(26-15)22-8-4-13(5-9-22)17(23)20-14-6-10-27(24,25)11-7-14/h2-3,13-14H,4-11H2,1H3,(H,20,23)
InChIKeyCZGDFLZAIHCZGW-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.44
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide

N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 154823090) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID154823090
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2oc(N3CCC(C(=O)NC4CCS(=O)(=O)CC4)CC3)nc2n1
InChIInChI=1S/C18H24N4O4S/c1-12-2-3-15-16(19-12)21-18(26-15)22-8-4-13(5-9-22)17(23)20-14-6-10-27(24,25)11-7-14/h2-3,13-14H,4-11H2,1H3,(H,20,23)
InChIKeyCZGDFLZAIHCZGW-UHFFFAOYSA-N
XLogP1.44
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 154567726
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
CID 154815776
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154564469
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 155493965
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
CID 155914374
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide (CID 154823090) is N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide is Cc1ccc2oc(N3CCC(C(=O)NC4CCS(=O)(=O)CC4)CC3)nc2n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is CZGDFLZAIHCZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12-2-3-15-16(19-12)21-18(26-15)22-8-4-13(5-9-22)17(23)20-14-6-10-27(24,25)11-7-14/h2-3,13-14H,4-11H2,1H3,(H,20,23).
What are the key properties of N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide?
N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154823090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).