4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate

C26H35N3O5S — CID 18613547

IUPAC4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate
SMILESO=C(OCCCCc1ccccc1)C1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H35N3O5S/c30-26(34-19-7-5-10-22-8-2-1-3-9-22)25-11-4-6-16-29(25)35(31,32)27-23-12-14-24(15-13-23)28-17-20-33-21-18-28/h1-3,8-9,12-15,25,27H,4-7,10-11,16-21H2
InChIKeyYCLCBFNUWPBSKN-UHFFFAOYSA-N
MW501.65 g/mol
LogP3.60
Rot. Bonds10

About 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate

4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate (PubChem CID 18613547) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate
PubChem CID18613547
Molecular FormulaC26H35N3O5S
Molecular Weight501.65 g/mol
Exact Mass501.23
IUPAC Name4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate
SMILESO=C(OCCCCc1ccccc1)C1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H35N3O5S/c30-26(34-19-7-5-10-22-8-2-1-3-9-22)25-11-4-6-16-29(25)35(31,32)27-23-12-14-24(15-13-23)28-17-20-33-21-18-28/h1-3,8-9,12-15,25,27H,4-7,10-11,16-21H2
InChIKeyYCLCBFNUWPBSKN-UHFFFAOYSA-N
XLogP3.60
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
CID 70024698
1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
CID 10232858
4-phenylbutyl 1-(N-aminoanilino)piperidine-2-carboxylate
CID 142067129
3-pyridin-4-ylpropyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 78772226
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859865
3-[4-[(4-morpholin-4-ylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8003799
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate
CID 59893765
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497

Frequently Asked Questions

What is the IUPAC name of 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate?
The IUPAC name of 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate (CID 18613547) is 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate.
What is the SMILES notation for 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate?
The canonical SMILES for 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate is O=C(OCCCCc1ccccc1)C1CCCCN1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate?
The InChIKey is YCLCBFNUWPBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c30-26(34-19-7-5-10-22-8-2-1-3-9-22)25-11-4-6-16-29(25)35(31,32)27-23-12-14-24(15-13-23)28-17-20-33-21-18-28/h1-3,8-9,12-15,25,27H,4-7,10-11,16-21H2.
What are the key properties of 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate?
4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate has a molecular weight of 501.65 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbutyl 1-[(4-morpholin-4-ylphenyl)sulfamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 18613547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).