(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide

C22H35N3O4S — CID 130310098

IUPAC(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O4S/c1-3-23-22(26)25-15-7-10-20(24-30(2,27)28)21(25)16-29-19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,18-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/t18?,19?,20-,21-/m0/s1
InChIKeyGCSPLXQGOXYDRB-JSRAGOMMSA-N
MW437.61 g/mol
LogP2.84
Rot. Bonds7

About (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide

(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide (PubChem CID 130310098) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide
PubChem CID130310098
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC Name(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H35N3O4S/c1-3-23-22(26)25-15-7-10-20(24-30(2,27)28)21(25)16-29-19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,18-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/t18?,19?,20-,21-/m0/s1
InChIKeyGCSPLXQGOXYDRB-JSRAGOMMSA-N
XLogP2.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The IUPAC name of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide (CID 130310098) is (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
The InChIKey is GCSPLXQGOXYDRB-JSRAGOMMSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-3-23-22(26)25-15-7-10-20(24-30(2,27)28)21(25)16-29-19-13-11-18(12-14-19)17-8-5-4-6-9-17/h4-6,8-9,18-21,24H,3,7,10-16H2,1-2H3,(H,23,26)/t18?,19?,20-,21-/m0/s1.
What are the key properties of (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide?
(2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 130310098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).