N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide

C23H34N2O4S — CID 170638795

IUPACN-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@H]1OCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H34N2O4S/c1-30(27,28)24-21-13-14-25(23(26)20-11-12-20)15-22(21)29-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-6,17,19-22,24H,7-16H2,1H3/t17?,19?,21-,22+/m0/s1
InChIKeyRSFXYBCKIIAGPA-JFHVBQFUSA-N
MW434.60 g/mol
LogP2.91
Rot. Bonds7

About N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide

N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide (PubChem CID 170638795) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
PubChem CID170638795
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC NameN-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@H]1OCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H34N2O4S/c1-30(27,28)24-21-13-14-25(23(26)20-11-12-20)15-22(21)29-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-6,17,19-22,24H,7-16H2,1H3/t17?,19?,21-,22+/m0/s1
InChIKeyRSFXYBCKIIAGPA-JFHVBQFUSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822176
N-[(3S,4R)-1-[(1-fluorocyclobutyl)methyl]-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822202
N-[(3S,4R)-1-(1-methylimidazol-4-yl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822211
methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 170638731
(3R,4S)-1-(3,3-difluorocyclopentanecarbonyl)-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidine
CID 176822214
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404
N-[(3R,4S)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 170638728
N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
CID 170638509
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxamide
CID 154681390

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide (CID 170638795) is N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCN(C(=O)C2CC2)C[C@H]1OCC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
The InChIKey is RSFXYBCKIIAGPA-JFHVBQFUSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-30(27,28)24-21-13-14-25(23(26)20-11-12-20)15-22(21)29-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-6,17,19-22,24H,7-16H2,1H3/t17?,19?,21-,22+/m0/s1.
What are the key properties of N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide?
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide has a molecular weight of 434.60 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 170638795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).