N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C24H37N3O4S — CID 46807174

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCOCC1
InChIInChI=1S/C24H37N3O4S/c1-24(2,26-13-15-31-16-14-26)18-25-23(28)20-9-11-27(12-10-20)32(29,30)22-8-7-19-5-3-4-6-21(19)17-22/h7-8,17,20H,3-6,9-16,18H2,1-2H3,(H,25,28)
InChIKeyDFNBJNRIWAHJCF-UHFFFAOYSA-N
MW463.64 g/mol
LogP2.19
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 46807174) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID46807174
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCOCC1
InChIInChI=1S/C24H37N3O4S/c1-24(2,26-13-15-31-16-14-26)18-25-23(28)20-9-11-27(12-10-20)32(29,30)22-8-7-19-5-3-4-6-21(19)17-22/h7-8,17,20H,3-6,9-16,18H2,1-2H3,(H,25,28)
InChIKeyDFNBJNRIWAHJCF-UHFFFAOYSA-N
XLogP2.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 9452268
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 43043566
N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638481
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
N-(1-amino-2-methylpropan-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
CID 119523274
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55720513
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-(3-piperidin-1-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27743802
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 46807174) is N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is DFNBJNRIWAHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-24(2,26-13-15-31-16-14-26)18-25-23(28)20-9-11-27(12-10-20)32(29,30)22-8-7-19-5-3-4-6-21(19)17-22/h7-8,17,20H,3-6,9-16,18H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 463.64 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46807174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).