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

C21H33FN4O4S — CID 20629397

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)CC(C)O1
InChIInChI=1S/C21H33FN4O4S/c1-14(2)31(28,29)24-18-7-9-25(10-8-18)21(27)23-19-6-5-17(22)11-20(19)26-12-15(3)30-16(4)13-26/h5-6,11,14-16,18,24H,7-10,12-13H2,1-4H3,(H,23,27)
InChIKeyGKVJMWVSVGIKJR-UHFFFAOYSA-N
MW456.58 g/mol
LogP2.76
Rot. Bonds5

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

N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20629397) has the molecular formula C21H33FN4O4S and a molecular weight of 456.58 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20629397
Molecular FormulaC21H33FN4O4S
Molecular Weight456.58 g/mol
Exact Mass456.22
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)CC(C)O1
InChIInChI=1S/C21H33FN4O4S/c1-14(2)31(28,29)24-18-7-9-25(10-8-18)21(27)23-19-6-5-17(22)11-20(19)26-12-15(3)30-16(4)13-26/h5-6,11,14-16,18,24H,7-10,12-13H2,1-4H3,(H,23,27)
InChIKeyGKVJMWVSVGIKJR-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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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630046
N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630032
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(5-chloro-2-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2,4-dichlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3,4-dichlorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3,4-dimethoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3,5,6-tetrafluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 159145267
(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94187519
N-[4-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376590
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 61186692
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorophenyl]piperidine-1-carboxamide
CID 20630008
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630279

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20629397) is N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is GKVJMWVSVGIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN4O4S/c1-14(2)31(28,29)24-18-7-9-25(10-8-18)21(27)23-19-6-5-17(22)11-20(19)26-12-15(3)30-16(4)13-26/h5-6,11,14-16,18,24H,7-10,12-13H2,1-4H3,(H,23,27).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-4-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-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20629397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).