N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C23H36FN5O4S — CID 3242123

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H36FN5O4S/c24-21-4-1-2-5-22(21)27-14-12-26(13-15-27)9-3-8-25-23(30)20-6-10-28(11-7-20)34(31,32)29-16-18-33-19-17-29/h1-2,4-5,20H,3,6-19H2,(H,25,30)
InChIKeyQYFDCDIBJJDCDD-UHFFFAOYSA-N
MW497.64 g/mol
LogP0.74
Rot. Bonds8

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3242123) has the molecular formula C23H36FN5O4S and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3242123
Molecular FormulaC23H36FN5O4S
Molecular Weight497.64 g/mol
Exact Mass497.25
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H36FN5O4S/c24-21-4-1-2-5-22(21)27-14-12-26(13-15-27)9-3-8-25-23(30)20-6-10-28(11-7-20)34(31,32)29-16-18-33-19-17-29/h1-2,4-5,20H,3,6-19H2,(H,25,30)
InChIKeyQYFDCDIBJJDCDD-UHFFFAOYSA-N
XLogP0.74
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3242123) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is QYFDCDIBJJDCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN5O4S/c24-21-4-1-2-5-22(21)27-14-12-26(13-15-27)9-3-8-25-23(30)20-6-10-28(11-7-20)34(31,32)29-16-18-33-19-17-29/h1-2,4-5,20H,3,6-19H2,(H,25,30).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).