cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate

C20H31N3O6S — CID 172613313

IUPACcis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(COC2CCN(c3cccnc3OC)CC2)CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C20H31N3O6S/c1-27-18-17(5-4-10-21-18)23-11-7-16(8-12-23)29-14-20(19(24)28-2)9-6-15(13-20)22-30(3,25)26/h4-5,10,15-16,22H,6-9,11-14H2,1-3H3/t15-,20-/m0/s1
InChIKeyHYGXYYHKFXOKTQ-YWZLYKJASA-N
MW441.55 g/mol
LogP1.34
Rot. Bonds8

About cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate

cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate (PubChem CID 172613313) has the molecular formula C20H31N3O6S and a molecular weight of 441.55 g/mol. Its IUPAC name is cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate
PubChem CID172613313
Molecular FormulaC20H31N3O6S
Molecular Weight441.55 g/mol
Exact Mass441.19
IUPAC Namecis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(COC2CCN(c3cccnc3OC)CC2)CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C20H31N3O6S/c1-27-18-17(5-4-10-21-18)23-11-7-16(8-12-23)29-14-20(19(24)28-2)9-6-15(13-20)22-30(3,25)26/h4-5,10,15-16,22H,6-9,11-14H2,1-3H3/t15-,20-/m0/s1
InChIKeyHYGXYYHKFXOKTQ-YWZLYKJASA-N
XLogP1.34
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methoxy-3-pyridinyl)piperidin-4-ol
CID 172613587
cis-(1R,3S)-3-(methanesulfonamido)-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 171504737
3-(methanesulfonamido)-N-methoxy-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504775
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 135110737
N-[(3R,4S)-3-methyl-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 164799357
cis-methyl (1R,3S)-1-[[4-fluoro-3-(2-methyl-4-phenylmethoxy-1,3-thiazol-5-yl)phenyl]methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 172613039
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 126776510
N-[1-(3-bromopyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 107518487
ethyl 6-[4-[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171092638
4-hydroxy-1-(2-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168702386

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate (CID 172613313) is cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate is COC(=O)[C@@]1(COC2CCN(c3cccnc3OC)CC2)CC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate?
The InChIKey is HYGXYYHKFXOKTQ-YWZLYKJASA-N. The full InChI is InChI=1S/C20H31N3O6S/c1-27-18-17(5-4-10-21-18)23-11-7-16(8-12-23)29-14-20(19(24)28-2)9-6-15(13-20)22-30(3,25)26/h4-5,10,15-16,22H,6-9,11-14H2,1-3H3/t15-,20-/m0/s1.
What are the key properties of cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate?
cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate has a molecular weight of 441.55 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3S)-3-(methanesulfonamido)-1-[[1-(2-methoxy-3-pyridinyl)piperidin-4-yl]oxymethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 172613313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).