3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide

C23H25ClN2O5 — CID 42453495

IUPAC3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)C(=O)c3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C23H25ClN2O5/c24-18-14-15(22(28)25-16-4-1-2-5-16)7-8-19(18)31-17-9-11-26(12-10-17)23(29)21(27)20-6-3-13-30-20/h3,6-8,13-14,16-17H,1-2,4-5,9-12H2,(H,25,28)
InChIKeyBNOAPAYDDDOTRO-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.86
Rot. Bonds6

About 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide

3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide (PubChem CID 42453495) has the molecular formula C23H25ClN2O5 and a molecular weight of 444.92 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide
PubChem CID42453495
Molecular FormulaC23H25ClN2O5
Molecular Weight444.92 g/mol
Exact Mass444.15
IUPAC Name3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)C(=O)c3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C23H25ClN2O5/c24-18-14-15(22(28)25-16-4-1-2-5-16)7-8-19(18)31-17-9-11-26(12-10-17)23(29)21(27)20-6-3-13-30-20/h3,6-8,13-14,16-17H,1-2,4-5,9-12H2,(H,25,28)
InChIKeyBNOAPAYDDDOTRO-UHFFFAOYSA-N
XLogP3.86
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
CID 97271666
3-chloro-N-cyclopentyl-4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
CID 42212911
3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide
CID 42304121
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
3-chloro-N-cyclopentyl-4-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25295558
3-chloro-N-cyclopentyl-4-[1-[(2S)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 42114628
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclooctylfuran-2-carboxamide
CID 790432
3-chloro-4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42213601
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174532
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide (CID 42453495) is 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide is O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)C(=O)c3ccco3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide?
The InChIKey is BNOAPAYDDDOTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5/c24-18-14-15(22(28)25-16-4-1-2-5-16)7-8-19(18)31-17-9-11-26(12-10-17)23(29)21(27)20-6-3-13-30-20/h3,6-8,13-14,16-17H,1-2,4-5,9-12H2,(H,25,28).
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide has a molecular weight of 444.92 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42453495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).