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

C25H32N2O3 — CID 26329204

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C25H32N2O3/c28-25(24-8-4-14-30-24)27(18-23-7-3-13-29-23)17-19-9-11-26(12-10-19)22-15-20-5-1-2-6-21(20)16-22/h1-2,4-6,8,14,19,22-23H,3,7,9-13,15-18H2/t23-/m0/s1
InChIKeyVOOUQPCFSUTYQC-QHCPKHFHSA-N
MW408.54 g/mol
LogP3.78
Rot. Bonds6

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 26329204) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 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]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
PubChem CID26329204
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1
InChIInChI=1S/C25H32N2O3/c28-25(24-8-4-14-30-24)27(18-23-7-3-13-29-23)17-19-9-11-26(12-10-19)22-15-20-5-1-2-6-21(20)16-22/h1-2,4-6,8,14,19,22-23H,3,7,9-13,15-18H2/t23-/m0/s1
InChIKeyVOOUQPCFSUTYQC-QHCPKHFHSA-N
XLogP3.78
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413
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]-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]-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-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
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]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42214950
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
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
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

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]furan-2-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide (CID 26329204) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide.
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]furan-2-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide is O=C(c1ccco1)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]furan-2-carboxamide?
The InChIKey is VOOUQPCFSUTYQC-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N2O3/c28-25(24-8-4-14-30-24)27(18-23-7-3-13-29-23)17-19-9-11-26(12-10-19)22-15-20-5-1-2-6-21(20)16-22/h1-2,4-6,8,14,19,22-23H,3,7,9-13,15-18H2/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]furan-2-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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]furan-2-carboxamide is sourced from PubChem (CID 26329204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).