N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide

C24H33F3N2O2 — CID 42216138

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C24H33F3N2O2/c25-24(26,27)10-7-23(30)29(17-22-6-3-13-31-22)16-18-8-11-28(12-9-18)21-14-19-4-1-2-5-20(19)15-21/h1-2,4-5,18,21-22H,3,6-17H2/t22-/m0/s1
InChIKeyDJIDWRYJZJJHGK-QFIPXVFZSA-N
MW438.53 g/mol
LogP4.22
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 42216138) has the molecular formula C24H33F3N2O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID42216138
Molecular FormulaC24H33F3N2O2
Molecular Weight438.53 g/mol
Exact Mass438.25
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C24H33F3N2O2/c25-24(26,27)10-7-23(30)29(17-22-6-3-13-31-22)16-18-8-11-28(12-9-18)21-14-19-4-1-2-5-20(19)15-21/h1-2,4-5,18,21-22H,3,6-17H2/t22-/m0/s1
InChIKeyDJIDWRYJZJJHGK-QFIPXVFZSA-N
XLogP4.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 42216138) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide is O=C(CCC(F)(F)F)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is DJIDWRYJZJJHGK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33F3N2O2/c25-24(26,27)10-7-23(30)29(17-22-6-3-13-31-22)16-18-8-11-28(12-9-18)21-14-19-4-1-2-5-20(19)15-21/h1-2,4-5,18,21-22H,3,6-17H2/t22-/m0/s1.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 438.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 42216138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).