N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide

C17H25N3O4S — CID 127854006

IUPACN-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide
SMILESCc1ccnc(OC2CCN(C(=O)NC3CCCS(=O)(=O)C3)CC2)c1
InChIInChI=1S/C17H25N3O4S/c1-13-4-7-18-16(11-13)24-15-5-8-20(9-6-15)17(21)19-14-3-2-10-25(22,23)12-14/h4,7,11,14-15H,2-3,5-6,8-10,12H2,1H3,(H,19,21)
InChIKeyLCLGGNYJAUPVQC-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.52
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide

N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide (PubChem CID 127854006) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide
PubChem CID127854006
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide
SMILESCc1ccnc(OC2CCN(C(=O)NC3CCCS(=O)(=O)C3)CC2)c1
InChIInChI=1S/C17H25N3O4S/c1-13-4-7-18-16(11-13)24-15-5-8-20(9-6-15)17(21)19-14-3-2-10-25(22,23)12-14/h4,7,11,14-15H,2-3,5-6,8-10,12H2,1H3,(H,19,21)
InChIKeyLCLGGNYJAUPVQC-UHFFFAOYSA-N
XLogP1.52
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothian-3-yl)pyrrolidine-1-carboxamide
CID 115629618
1-(3-methylpiperidin-1-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethane-1,2-dione
CID 136536818
2-cyclopentyloxy-4-methylpyridine
CID 18779821
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111141971
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122050962
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
CID 119043464
ethane;4-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 144655486

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide (CID 127854006) is N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide is Cc1ccnc(OC2CCN(C(=O)NC3CCCS(=O)(=O)C3)CC2)c1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide?
The InChIKey is LCLGGNYJAUPVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-4-7-18-16(11-13)24-15-5-8-20(9-6-15)17(21)19-14-3-2-10-25(22,23)12-14/h4,7,11,14-15H,2-3,5-6,8-10,12H2,1H3,(H,19,21).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide?
N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carboxamide is sourced from PubChem (CID 127854006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).