N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C20H32N2O4S — CID 46420149

IUPACN-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-4-5-6-8-16(2)21-20(23)17-9-7-14-22(15-17)27(24,25)19-12-10-18(26-3)11-13-19/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,21,23)
InChIKeyQPIJGRUVKIFMJA-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.18
Rot. Bonds9

About N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 46420149) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID46420149
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C20H32N2O4S/c1-4-5-6-8-16(2)21-20(23)17-9-7-14-22(15-17)27(24,25)19-12-10-18(26-3)11-13-19/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,21,23)
InChIKeyQPIJGRUVKIFMJA-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide
CID 70680856
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
1-(4-methoxyphenyl)sulfonyl-N-(4-methylpentyl)piperidine-3-carboxamide
CID 134023366
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 46420149) is N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is CCCCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QPIJGRUVKIFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-4-5-6-8-16(2)21-20(23)17-9-7-14-22(15-17)27(24,25)19-12-10-18(26-3)11-13-19/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 396.55 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46420149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).