N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide

C12H22N2O4S — CID 83206976

IUPACN-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NOC2CCCC2)C1
InChIInChI=1S/C12H22N2O4S/c1-19(16,17)14-8-4-5-10(9-14)12(15)13-18-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyQURWOBRDBDTVQI-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.65
Rot. Bonds4

About N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide

N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 83206976) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID83206976
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NOC2CCCC2)C1
InChIInChI=1S/C12H22N2O4S/c1-19(16,17)14-8-4-5-10(9-14)12(15)13-18-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyQURWOBRDBDTVQI-UHFFFAOYSA-N
XLogP0.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
CID 115410119
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
methyl (2S)-2-cyclopropyl-2-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]acetate
CID 95783962
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
methyl (2S)-3,3-dimethyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoate
CID 56806550
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide (CID 83206976) is N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NOC2CCCC2)C1.
What is the InChIKey of N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is QURWOBRDBDTVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-19(16,17)14-8-4-5-10(9-14)12(15)13-18-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide?
N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 83206976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).