[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C22H30N2O2 — CID 119545920

IUPAC[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)18-7-5-17(6-8-18)19-9-10-20(26-19)21(25)24-13-11-16(12-14-24)15-23-4/h5-10,16,23H,11-15H2,1-4H3
InChIKeyBXXWGKYYFOYHRH-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.32
Rot. Bonds4

About [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119545920) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119545920
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)18-7-5-17(6-8-18)19-9-10-20(26-19)21(25)24-13-11-16(12-14-24)15-23-4/h5-10,16,23H,11-15H2,1-4H3
InChIKeyBXXWGKYYFOYHRH-UHFFFAOYSA-N
XLogP4.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
N-[(3S)-1-[5-(4-tert-butylphenyl)furan-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641791
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541500
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
tert-butyl 4-[[[4-(5-formylfuran-2-yl)phenyl]methylamino]methyl]piperidine-1-carboxylate
CID 169333578
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119545920) is [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1.
What is the InChIKey of [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BXXWGKYYFOYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2,3)18-7-5-17(6-8-18)19-9-10-20(26-19)21(25)24-13-11-16(12-14-24)15-23-4/h5-10,16,23H,11-15H2,1-4H3.
What are the key properties of [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylphenyl)furan-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119545920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).