3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide

C23H29ClN2O4 — CID 42304121

IUPAC3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1
InChIInChI=1S/C23H29ClN2O4/c24-21-13-16(23(28)25-17-3-1-2-4-17)5-8-22(21)30-18-9-11-26(12-10-18)14-19-6-7-20(15-27)29-19/h5-8,13,17-18,27H,1-4,9-12,14-15H2,(H,25,28)
InChIKeyDWHCAJWPDBRSTF-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.14
Rot. Bonds7

About 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide

3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide (PubChem CID 42304121) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide
PubChem CID42304121
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1
InChIInChI=1S/C23H29ClN2O4/c24-21-13-16(23(28)25-17-3-1-2-4-17)5-8-22(21)30-18-9-11-26(12-10-18)14-19-6-7-20(15-27)29-19/h5-8,13,17-18,27H,1-4,9-12,14-15H2,(H,25,28)
InChIKeyDWHCAJWPDBRSTF-UHFFFAOYSA-N
XLogP4.14
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-cyclopentyl-4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
3-chloro-N-cyclopentyl-4-[1-[2-(furan-2-yl)-2-oxoacetyl]piperidin-4-yl]oxybenzamide
CID 42453495
3-chloro-N-cyclopentyl-4-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]oxybenzamide
CID 97271666
4-[1-(3-acetamidopropanoyl)piperidin-4-yl]oxy-3-chloro-N-cyclopentylbenzamide
CID 42212911
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
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
N-(1-benzylpiperidin-4-yl)-3-chloro-4-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]cyclooctyl]oxybenzamide
CID 123859633
3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25284964
3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-prop-2-ynylbenzamide
CID 45488536
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide (CID 42304121) is 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide is O=C(NC1CCCC1)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide?
The InChIKey is DWHCAJWPDBRSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c24-21-13-16(23(28)25-17-3-1-2-4-17)5-8-22(21)30-18-9-11-26(12-10-18)14-19-6-7-20(15-27)29-19/h5-8,13,17-18,27H,1-4,9-12,14-15H2,(H,25,28).
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide has a molecular weight of 432.95 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42304121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).