4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide

C23H26N2O4 — CID 46510369

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H26N2O4/c26-20(18-7-6-16-3-1-4-17(16)15-18)8-9-22(27)24-19-10-12-25(13-11-19)23(28)21-5-2-14-29-21/h2,5-7,14-15,19H,1,3-4,8-13H2,(H,24,27)
InChIKeyJBKWVWDQGDGOFT-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.15
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide

4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide (PubChem CID 46510369) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
PubChem CID46510369
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H26N2O4/c26-20(18-7-6-16-3-1-4-17(16)15-18)8-9-22(27)24-19-10-12-25(13-11-19)23(28)21-5-2-14-29-21/h2,5-7,14-15,19H,1,3-4,8-13H2,(H,24,27)
InChIKeyJBKWVWDQGDGOFT-UHFFFAOYSA-N
XLogP3.15
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide with MolForge

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-oxobutanamide
CID 55710907
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 112804072
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 25486470
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide (CID 46510369) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide?
The InChIKey is JBKWVWDQGDGOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-20(18-7-6-16-3-1-4-17(16)15-18)8-9-22(27)24-19-10-12-25(13-11-19)23(28)21-5-2-14-29-21/h2,5-7,14-15,19H,1,3-4,8-13H2,(H,24,27).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide?
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide has a molecular weight of 394.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 46510369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).