N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C21H33FN4O4S — CID 20630046

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)c(F)c2)CC(C)O1
InChIInChI=1S/C21H33FN4O4S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-20-6-5-18(11-19(20)22)26-12-15(3)30-16(4)13-26/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27)
InChIKeyLQSMJPKCWPXVPA-UHFFFAOYSA-N
MW456.58 g/mol
LogP2.76
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630046) has the molecular formula C21H33FN4O4S and a molecular weight of 456.58 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630046
Molecular FormulaC21H33FN4O4S
Molecular Weight456.58 g/mol
Exact Mass456.22
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)c(F)c2)CC(C)O1
InChIInChI=1S/C21H33FN4O4S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-20-6-5-18(11-19(20)22)26-12-15(3)30-16(4)13-26/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27)
InChIKeyLQSMJPKCWPXVPA-UHFFFAOYSA-N
XLogP2.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20630046) is N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)c(F)c2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is LQSMJPKCWPXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN4O4S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-20-6-5-18(11-19(20)22)26-12-15(3)30-16(4)13-26/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 456.58 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).