1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide

C14H20N2O4S — CID 62098751

IUPAC1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
SMILESCOC(C(=O)N1CCCC(S(N)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C14H20N2O4S/c1-20-13(11-6-3-2-4-7-11)14(17)16-9-5-8-12(10-16)21(15,18)19/h2-4,6-7,12-13H,5,8-10H2,1H3,(H2,15,18,19)
InChIKeyLDMKWKMXIFCYGN-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide

1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide (PubChem CID 62098751) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
PubChem CID62098751
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
SMILESCOC(C(=O)N1CCCC(S(N)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C14H20N2O4S/c1-20-13(11-6-3-2-4-7-11)14(17)16-9-5-8-12(10-16)21(15,18)19/h2-4,6-7,12-13H,5,8-10H2,1H3,(H2,15,18,19)
InChIKeyLDMKWKMXIFCYGN-UHFFFAOYSA-N
XLogP0.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
1-(2-methoxypropanoyl)piperidine-3-sulfonamide
CID 115643260
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-(4-amino-3-methylpiperidin-1-yl)-2-methoxy-2-phenylethanone;hydrochloride
CID 119592553
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide (CID 62098751) is 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide is COC(C(=O)N1CCCC(S(N)(=O)=O)C1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide?
The InChIKey is LDMKWKMXIFCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13(11-6-3-2-4-7-11)14(17)16-9-5-8-12(10-16)21(15,18)19/h2-4,6-7,12-13H,5,8-10H2,1H3,(H2,15,18,19).
What are the key properties of 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide?
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide has a molecular weight of 312.39 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 1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide is sourced from PubChem (CID 62098751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).