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

C24H36N2O2 — CID 97280347

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C24H36N2O2/c1-2-6-24(27)26(18-23-9-5-14-28-23)17-19-10-12-25(13-11-19)22-15-20-7-3-4-8-21(20)16-22/h3-4,7-8,19,22-23H,2,5-6,9-18H2,1H3/t23-/m0/s1
InChIKeyVLXPTSXYXZHFCH-QHCPKHFHSA-N
MW384.56 g/mol
LogP3.67
Rot. Bonds7

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 97280347) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID97280347
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCCCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C24H36N2O2/c1-2-6-24(27)26(18-23-9-5-14-28-23)17-19-10-12-25(13-11-19)22-15-20-7-3-4-8-21(20)16-22/h3-4,7-8,19,22-23H,2,5-6,9-18H2,1H3/t23-/m0/s1
InChIKeyVLXPTSXYXZHFCH-QHCPKHFHSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45174104
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 25484957
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 45205428
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42245792
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42591494
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45207717

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 97280347) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-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]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide is CCCC(=O)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]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is VLXPTSXYXZHFCH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-6-24(27)26(18-23-9-5-14-28-23)17-19-10-12-25(13-11-19)22-15-20-7-3-4-8-21(20)16-22/h3-4,7-8,19,22-23H,2,5-6,9-18H2,1H3/t23-/m0/s1.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 384.56 g/mol, XLogP of 3.67, 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]-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 97280347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).