N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide

C15H22N2O4S — CID 94872067

IUPACN-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
SMILESCO[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O4S/c1-21-14(12-6-4-3-5-7-12)15(18)17-10-8-13(9-11-17)16-22(2,19)20/h3-7,13-14,16H,8-11H2,1-2H3/t14-/m1/s1
InChIKeyWHMAWMUUJKLQMR-CQSZACIVSA-N
MW326.42 g/mol
LogP0.91
Rot. Bonds5

About N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide

N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide (PubChem CID 94872067) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
PubChem CID94872067
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
SMILESCO[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O4S/c1-21-14(12-6-4-3-5-7-12)15(18)17-10-8-13(9-11-17)16-22(2,19)20/h3-7,13-14,16H,8-11H2,1-2H3/t14-/m1/s1
InChIKeyWHMAWMUUJKLQMR-CQSZACIVSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
(2S)-1-[(3S,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-methoxy-2-phenylethanone
CID 98856814
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 72877580
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide (CID 94872067) is N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide is CO[C@@H](C(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is WHMAWMUUJKLQMR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14(12-6-4-3-5-7-12)15(18)17-10-8-13(9-11-17)16-22(2,19)20/h3-7,13-14,16H,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 94872067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).