N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide

C19H28N2O5S — CID 47029615

IUPACN-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC/C=C/c1cc(C(=O)N2CCCC(CNS(C)(=O)=O)C2)cc(OC)c1OC
InChIInChI=1S/C19H28N2O5S/c1-5-7-15-10-16(11-17(25-2)18(15)26-3)19(22)21-9-6-8-14(13-21)12-20-27(4,23)24/h5,7,10-11,14,20H,6,8-9,12-13H2,1-4H3/b7-5+
InChIKeyJWQUXBBUFGVMMI-FNORWQNLSA-N
MW396.51 g/mol
LogP2.14
Rot. Bonds7

About N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47029615) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47029615
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC/C=C/c1cc(C(=O)N2CCCC(CNS(C)(=O)=O)C2)cc(OC)c1OC
InChIInChI=1S/C19H28N2O5S/c1-5-7-15-10-16(11-17(25-2)18(15)26-3)19(22)21-9-6-8-14(13-21)12-20-27(4,23)24/h5,7,10-11,14,20H,6,8-9,12-13H2,1-4H3/b7-5+
InChIKeyJWQUXBBUFGVMMI-FNORWQNLSA-N
XLogP2.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666094
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
ethyl 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 16573483
(3-bromo-4-ethoxy-5-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119394773
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75532218
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
N-[[1-(7,8-dihydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 146085244
N-[[(3S)-1-(2-methoxy-5-methylbenzoyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 145184484
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide (CID 47029615) is N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide is C/C=C/c1cc(C(=O)N2CCCC(CNS(C)(=O)=O)C2)cc(OC)c1OC.
What is the InChIKey of N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JWQUXBBUFGVMMI-FNORWQNLSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-5-7-15-10-16(11-17(25-2)18(15)26-3)19(22)21-9-6-8-14(13-21)12-20-27(4,23)24/h5,7,10-11,14,20H,6,8-9,12-13H2,1-4H3/b7-5+.
What are the key properties of N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47029615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).