N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C25H39N3O4S — CID 43043566

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCOCC1
InChIInChI=1S/C25H39N3O4S/c1-19(2)24(27-13-15-32-16-14-27)18-26-25(29)21-9-11-28(12-10-21)33(30,31)23-8-7-20-5-3-4-6-22(20)17-23/h7-8,17,19,21,24H,3-6,9-16,18H2,1-2H3,(H,26,29)
InChIKeyYFRNCXWFUDPFRS-UHFFFAOYSA-N
MW477.67 g/mol
LogP2.44
Rot. Bonds7

About N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 43043566) has the molecular formula C25H39N3O4S and a molecular weight of 477.67 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID43043566
Molecular FormulaC25H39N3O4S
Molecular Weight477.67 g/mol
Exact Mass477.27
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCOCC1
InChIInChI=1S/C25H39N3O4S/c1-19(2)24(27-13-15-32-16-14-27)18-26-25(29)21-9-11-28(12-10-21)33(30,31)23-8-7-20-5-3-4-6-22(20)17-23/h7-8,17,19,21,24H,3-6,9-16,18H2,1-2H3,(H,26,29)
InChIKeyYFRNCXWFUDPFRS-UHFFFAOYSA-N
XLogP2.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30470697
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46807174
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-4-carboxamide
CID 120653739
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 40986459
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
CID 46400310
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide
CID 17478368
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 27798668
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
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 55520546

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 43043566) is N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is YFRNCXWFUDPFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4S/c1-19(2)24(27-13-15-32-16-14-27)18-26-25(29)21-9-11-28(12-10-21)33(30,31)23-8-7-20-5-3-4-6-22(20)17-23/h7-8,17,19,21,24H,3-6,9-16,18H2,1-2H3,(H,26,29).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 477.67 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 43043566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).