[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

C22H30N2O2 — CID 25460748

IUPAC[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc(CN(C)C)o2)C1
InChIInChI=1S/C22H30N2O2/c1-17-7-4-5-9-19(17)11-10-18-8-6-14-24(15-18)22(25)21-13-12-20(26-21)16-23(2)3/h4-5,7,9,12-13,18H,6,8,10-11,14-16H2,1-3H3/t18-/m1/s1
InChIKeyIDZGZGWFQNQZLU-GOSISDBHSA-N
MW354.49 g/mol
LogP4.13
Rot. Bonds6

About [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 25460748) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID25460748
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc(CN(C)C)o2)C1
InChIInChI=1S/C22H30N2O2/c1-17-7-4-5-9-19(17)11-10-18-8-6-14-24(15-18)22(25)21-13-12-20(26-21)16-23(2)3/h4-5,7,9,12-13,18H,6,8,10-11,14-16H2,1-3H3/t18-/m1/s1
InChIKeyIDZGZGWFQNQZLU-GOSISDBHSA-N
XLogP4.13
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
[5-[(dimethylamino)methyl]furan-2-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70758255
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone (CID 25460748) is [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone is Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc(CN(C)C)o2)C1.
What is the InChIKey of [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is IDZGZGWFQNQZLU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17-7-4-5-9-19(17)11-10-18-8-6-14-24(15-18)22(25)21-13-12-20(26-21)16-23(2)3/h4-5,7,9,12-13,18H,6,8,10-11,14-16H2,1-3H3/t18-/m1/s1.
What are the key properties of [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 25460748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).