N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide

C22H32FN3O4S — CID 178110074

IUPACN-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(NS(C)(=O)=O)C1COC1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C22H32FN3O4S/c1-3-24-22(27)26-14-6-9-20(25-31(2,28)29)21(26)15-30-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23/h4-5,7-8,10,17,20-21,25H,3,6,9,11-15H2,1-2H3,(H,24,27)
InChIKeyZDVQYTGIPNONAT-UHFFFAOYSA-N
MW453.58 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide

N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 178110074) has the molecular formula C22H32FN3O4S and a molecular weight of 453.58 g/mol. Its IUPAC name is N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID178110074
Molecular FormulaC22H32FN3O4S
Molecular Weight453.58 g/mol
Exact Mass453.21
IUPAC NameN-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(NS(C)(=O)=O)C1COC1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C22H32FN3O4S/c1-3-24-22(27)26-14-6-9-20(25-31(2,28)29)21(26)15-30-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23/h4-5,7-8,10,17,20-21,25H,3,6,9,11-15H2,1-2H3,(H,24,27)
InChIKeyZDVQYTGIPNONAT-UHFFFAOYSA-N
XLogP2.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide with MolForge

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Related Compounds

methyl 2-[[4-[2-fluoro-6-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 178110082
N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide
CID 175701643
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 137461096
N-[(2R,3S)-1-acetyl-2-[[4-(2-fluorophenyl)cyclohexyl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310293
N-[(2R,3S)-2-[[1-(2-fluorophenyl)piperidin-4-yl]oxymethyl]-1-(2-hydroxyacetyl)piperidin-3-yl]methanesulfonamide
CID 130310275
methyl (2R,3S)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 130310270
(2S,3S)-N-ethyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 137461333
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137462003
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 137440626
N-ethyl-3-(methanesulfonamido)-2-[[3-[(3-methylphenyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 137461550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 178110074) is N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide is CCNC(=O)N1CCCC(NS(C)(=O)=O)C1COC1CC=C(c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is ZDVQYTGIPNONAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O4S/c1-3-24-22(27)26-14-6-9-20(25-31(2,28)29)21(26)15-30-17-12-10-16(11-13-17)18-7-4-5-8-19(18)23/h4-5,7-8,10,17,20-21,25H,3,6,9,11-15H2,1-2H3,(H,24,27).
What are the key properties of N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 178110074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).