furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone

C21H28N2O2 — CID 97231970

IUPACfuran-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
SMILESCc1ccccc1[C@H](NC1CCN(C(=O)c2ccoc2)CC1)C(C)C
InChIInChI=1S/C21H28N2O2/c1-15(2)20(19-7-5-4-6-16(19)3)22-18-8-11-23(12-9-18)21(24)17-10-13-25-14-17/h4-7,10,13-15,18,20,22H,8-9,11-12H2,1-3H3/t20-/m1/s1
InChIKeyRRYGDLQDYLXRSE-HXUWFJFHSA-N
MW340.47 g/mol
LogP4.18
Rot. Bonds5

About furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone

furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone (PubChem CID 97231970) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
PubChem CID97231970
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Namefuran-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
SMILESCc1ccccc1[C@H](NC1CCN(C(=O)c2ccoc2)CC1)C(C)C
InChIInChI=1S/C21H28N2O2/c1-15(2)20(19-7-5-4-6-16(19)3)22-18-8-11-23(12-9-18)21(24)17-10-13-25-14-17/h4-7,10,13-15,18,20,22H,8-9,11-12H2,1-3H3/t20-/m1/s1
InChIKeyRRYGDLQDYLXRSE-HXUWFJFHSA-N
XLogP4.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469
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N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46420852
[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97081115
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
furan-3-yl-[4-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]methanone
CID 97229211
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
1-(furan-3-carbonyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-4-carboxamide
CID 134048684
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone (CID 97231970) is furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone is Cc1ccccc1[C@H](NC1CCN(C(=O)c2ccoc2)CC1)C(C)C.
What is the InChIKey of furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone?
The InChIKey is RRYGDLQDYLXRSE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)20(19-7-5-4-6-16(19)3)22-18-8-11-23(12-9-18)21(24)17-10-13-25-14-17/h4-7,10,13-15,18,20,22H,8-9,11-12H2,1-3H3/t20-/m1/s1.
What are the key properties of furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone?
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 97231970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).