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

C21H33N3O5S — CID 175701643

IUPACN-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(NS(C)(=O)=O)C1CO[C@H]1CCC[C@@H]1Oc1ccccc1
InChIInChI=1S/C21H33N3O5S/c1-3-22-21(25)24-14-8-11-17(23-30(2,26)27)18(24)15-28-19-12-7-13-20(19)29-16-9-5-4-6-10-16/h4-6,9-10,17-20,23H,3,7-8,11-15H2,1-2H3,(H,22,25)/t17?,18?,19-,20-/m0/s1
InChIKeyBIUJTBRAKWHGKG-GUMHCPJTSA-N
MW439.58 g/mol
LogP2.11
Rot. Bonds8

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

N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide (PubChem CID 175701643) has the molecular formula C21H33N3O5S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide
PubChem CID175701643
Molecular FormulaC21H33N3O5S
Molecular Weight439.58 g/mol
Exact Mass439.21
IUPAC NameN-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(NS(C)(=O)=O)C1CO[C@H]1CCC[C@@H]1Oc1ccccc1
InChIInChI=1S/C21H33N3O5S/c1-3-22-21(25)24-14-8-11-17(23-30(2,26)27)18(24)15-28-19-12-7-13-20(19)29-16-9-5-4-6-10-16/h4-6,9-10,17-20,23H,3,7-8,11-15H2,1-2H3,(H,22,25)/t17?,18?,19-,20-/m0/s1
InChIKeyBIUJTBRAKWHGKG-GUMHCPJTSA-N
XLogP2.11
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 137461096
N-ethyl-2-[[4-(2-fluorophenyl)cyclohex-3-en-1-yl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 178110074
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137462003
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
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
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide
CID 137461154
(2S,3S)-N-ethyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 137461333
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
methyl (2R,3S)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 130310270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide (CID 175701643) is N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide is CCNC(=O)N1CCCC(NS(C)(=O)=O)C1CO[C@H]1CCC[C@@H]1Oc1ccccc1.
What is the InChIKey of N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide?
The InChIKey is BIUJTBRAKWHGKG-GUMHCPJTSA-N. The full InChI is InChI=1S/C21H33N3O5S/c1-3-22-21(25)24-14-8-11-17(23-30(2,26)27)18(24)15-28-19-12-7-13-20(19)29-16-9-5-4-6-10-16/h4-6,9-10,17-20,23H,3,7-8,11-15H2,1-2H3,(H,22,25)/t17?,18?,19-,20-/m0/s1.
What are the key properties of N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide?
N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methanesulfonamido)-2-[[(1S,2S)-2-phenoxycyclopentyl]oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 175701643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).