[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone

C24H34N2O2 — CID 97246065

IUPAC[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESC[C@@H](CNC1CCN(C(=O)c2ccoc2)CC1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H34N2O2/c1-18(15-19-5-7-21(8-6-19)24(2,3)4)16-25-22-9-12-26(13-10-22)23(27)20-11-14-28-17-20/h5-8,11,14,17-18,22,25H,9-10,12-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyXZMOEGKXIXVLFD-GOSISDBHSA-N
MW382.55 g/mol
LogP4.65
Rot. Bonds6

About [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 97246065) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID97246065
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESC[C@@H](CNC1CCN(C(=O)c2ccoc2)CC1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H34N2O2/c1-18(15-19-5-7-21(8-6-19)24(2,3)4)16-25-22-9-12-26(13-10-22)23(27)20-11-14-28-17-20/h5-8,11,14,17-18,22,25H,9-10,12-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyXZMOEGKXIXVLFD-GOSISDBHSA-N
XLogP4.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 31817470
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
CID 111422185
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 97246065) is [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone is C[C@@H](CNC1CCN(C(=O)c2ccoc2)CC1)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is XZMOEGKXIXVLFD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-18(15-19-5-7-21(8-6-19)24(2,3)4)16-25-22-9-12-26(13-10-22)23(27)20-11-14-28-17-20/h5-8,11,14,17-18,22,25H,9-10,12-13,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 382.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97246065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).