1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide

C19H26N4O6S — CID 3460368

IUPAC1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26N4O6S/c1-2-7-20-19(24)15-5-8-21(9-6-15)17-4-3-16(14-18(17)23(25)26)30(27,28)22-10-12-29-13-11-22/h2-4,14-15H,1,5-13H2,(H,20,24)
InChIKeyOKHOHCBTKXOAQJ-UHFFFAOYSA-N
MW438.51 g/mol
LogP1.13
Rot. Bonds7

About 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide

1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 3460368) has the molecular formula C19H26N4O6S and a molecular weight of 438.51 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID3460368
Molecular FormulaC19H26N4O6S
Molecular Weight438.51 g/mol
Exact Mass438.16
IUPAC Name1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H26N4O6S/c1-2-7-20-19(24)15-5-8-21(9-6-15)17-4-3-16(14-18(17)23(25)26)30(27,28)22-10-12-29-13-11-22/h2-4,14-15H,1,5-13H2,(H,20,24)
InChIKeyOKHOHCBTKXOAQJ-UHFFFAOYSA-N
XLogP1.13
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide (CID 3460368) is 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is OKHOHCBTKXOAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S/c1-2-7-20-19(24)15-5-8-21(9-6-15)17-4-3-16(14-18(17)23(25)26)30(27,28)22-10-12-29-13-11-22/h2-4,14-15H,1,5-13H2,(H,20,24).
What are the key properties of 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 3460368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).