N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide

C29H34N2O2 — CID 26352991

IUPACN-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C29H34N2O2/c1-21-27(14-17-33-21)29(32)30(2)28(18-22-8-4-3-5-9-22)23-12-15-31(16-13-23)26-19-24-10-6-7-11-25(24)20-26/h3-11,14,17,23,26,28H,12-13,15-16,18-20H2,1-2H3/t28-/m1/s1
InChIKeyBVSHXZGMXVCGMV-MUUNZHRXSA-N
MW442.60 g/mol
LogP5.15
Rot. Bonds6

About N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide

N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 26352991) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID26352991
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C29H34N2O2/c1-21-27(14-17-33-21)29(32)30(2)28(18-22-8-4-3-5-9-22)23-12-15-31(16-13-23)26-19-24-10-6-7-11-25(24)20-26/h3-11,14,17,23,26,28H,12-13,15-16,18-20H2,1-2H3/t28-/m1/s1
InChIKeyBVSHXZGMXVCGMV-MUUNZHRXSA-N
XLogP5.15
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352988
N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 29257696
N-[1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 45217634
N-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 42544541
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 45238794
N,2-dimethyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 126464322
N,2-dimethyl-N-[(1R)-2-phenyl-1-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]ethyl]furan-3-carboxamide
CID 42485147
N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide
CID 45245666
N,2-dimethyl-N-[(1S)-2-phenyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]ethyl]furan-3-carboxamide
CID 26357642
N-[(1S)-1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42273995
N-[2-(2-fluorophenyl)-1-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45192419
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42539908

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide (CID 26352991) is N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is BVSHXZGMXVCGMV-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-21-27(14-17-33-21)29(32)30(2)28(18-22-8-4-3-5-9-22)23-12-15-31(16-13-23)26-19-24-10-6-7-11-25(24)20-26/h3-11,14,17,23,26,28H,12-13,15-16,18-20H2,1-2H3/t28-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide?
N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 26352991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).