1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide

C19H24ClN3O4S — CID 3227695

IUPAC1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H24ClN3O4S/c1-2-7-21-19(24)15-5-8-22(9-6-15)18-4-3-16(14-17(18)20)28(25,26)23-10-12-27-13-11-23/h1,3-4,14-15H,5-13H2,(H,21,24)
InChIKeyMCBDQWUZURGBSE-UHFFFAOYSA-N
MW425.94 g/mol
LogP1.33
Rot. Bonds5

About 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 3227695) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide
PubChem CID3227695
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H24ClN3O4S/c1-2-7-21-19(24)15-5-8-22(9-6-15)18-4-3-16(14-17(18)20)28(25,26)23-10-12-27-13-11-23/h1,3-4,14-15H,5-13H2,(H,21,24)
InChIKeyMCBDQWUZURGBSE-UHFFFAOYSA-N
XLogP1.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide (CID 3227695) is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide is C#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is MCBDQWUZURGBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-2-7-21-19(24)15-5-8-22(9-6-15)18-4-3-16(14-17(18)20)28(25,26)23-10-12-27-13-11-23/h1,3-4,14-15H,5-13H2,(H,21,24).
What are the key properties of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide?
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 3227695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).