1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C23H29N3O4S — CID 644779

IUPAC1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c27-23(24-21-6-8-22(9-7-21)25-14-16-30-17-15-25)20-10-12-26(13-11-20)31(28,29)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2,(H,24,27)
InChIKeyYBTJTLORJPCEQM-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.70
Rot. Bonds6

About 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 644779) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID644779
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c27-23(24-21-6-8-22(9-7-21)25-14-16-30-17-15-25)20-10-12-26(13-11-20)31(28,29)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2,(H,24,27)
InChIKeyYBTJTLORJPCEQM-UHFFFAOYSA-N
XLogP2.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 644779) is 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is YBTJTLORJPCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(24-21-6-8-22(9-7-21)25-14-16-30-17-15-25)20-10-12-26(13-11-20)31(28,29)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2,(H,24,27).
What are the key properties of 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 644779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).