1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide

C16H22N2O4S — CID 2301174

IUPAC1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-3-10-17-16(19)13-8-11-18(12-9-13)23(20,21)15-6-4-14(22-2)5-7-15/h3-7,13H,1,8-12H2,2H3,(H,17,19)
InChIKeyZITOPWKBDXYVIU-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.40
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 2301174) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID2301174
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-3-10-17-16(19)13-8-11-18(12-9-13)23(20,21)15-6-4-14(22-2)5-7-15/h3-7,13H,1,8-12H2,2H3,(H,17,19)
InChIKeyZITOPWKBDXYVIU-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide (CID 2301174) is 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is ZITOPWKBDXYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-10-17-16(19)13-8-11-18(12-9-13)23(20,21)15-6-4-14(22-2)5-7-15/h3-7,13H,1,8-12H2,2H3,(H,17,19).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 2301174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).