1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide

C15H26N2O4S — CID 122276202

IUPAC1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCC23CCOCC3)CC1
InChIInChI=1S/C15H26N2O4S/c1-22(19,20)17-8-3-12(4-9-17)14(18)16-13-2-5-15(13)6-10-21-11-7-15/h12-13H,2-11H2,1H3,(H,16,18)
InChIKeyBUAUQYHQQNYNFA-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.73
Rot. Bonds3

About 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide (PubChem CID 122276202) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide
PubChem CID122276202
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCC23CCOCC3)CC1
InChIInChI=1S/C15H26N2O4S/c1-22(19,20)17-8-3-12(4-9-17)14(18)16-13-2-5-15(13)6-10-21-11-7-15/h12-13H,2-11H2,1H3,(H,16,18)
InChIKeyBUAUQYHQQNYNFA-UHFFFAOYSA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide
CID 122276427
N-(7-oxaspiro[3.5]nonan-3-yl)oxolane-2-carboxamide
CID 122276279
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707
4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide
CID 122276478
3-amino-N-(1-methylsulfonylpiperidin-4-yl)oxolane-3-carboxamide
CID 64893740
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110871494
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
CID 113349162
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
5-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide
CID 122276318

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide (CID 122276202) is 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCC23CCOCC3)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide?
The InChIKey is BUAUQYHQQNYNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-22(19,20)17-8-3-12(4-9-17)14(18)16-13-2-5-15(13)6-10-21-11-7-15/h12-13H,2-11H2,1H3,(H,16,18).
What are the key properties of 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 122276202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).