3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide

C24H33ClN4O2 — CID 25282554

IUPAC3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
SMILESCC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1
InChIInChI=1S/C24H33ClN4O2/c1-17(2)29-16-18(14-26-29)15-28-11-9-21(10-12-28)31-23-8-7-19(13-22(23)25)24(30)27-20-5-3-4-6-20/h7-8,13-14,16-17,20-21H,3-6,9-12,15H2,1-2H3,(H,27,30)
InChIKeyFKGHLQAQWYEVGD-UHFFFAOYSA-N
MW445.01 g/mol
LogP4.83
Rot. Bonds7

About 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide

3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide (PubChem CID 25282554) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
PubChem CID25282554
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide
SMILESCC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1
InChIInChI=1S/C24H33ClN4O2/c1-17(2)29-16-18(14-26-29)15-28-11-9-21(10-12-28)31-23-8-7-19(13-22(23)25)24(30)27-20-5-3-4-6-20/h7-8,13-14,16-17,20-21H,3-6,9-12,15H2,1-2H3,(H,27,30)
InChIKeyFKGHLQAQWYEVGD-UHFFFAOYSA-N
XLogP4.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide (CID 25282554) is 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide is CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide?
The InChIKey is FKGHLQAQWYEVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-17(2)29-16-18(14-26-29)15-28-11-9-21(10-12-28)31-23-8-7-19(13-22(23)25)24(30)27-20-5-3-4-6-20/h7-8,13-14,16-17,20-21H,3-6,9-12,15H2,1-2H3,(H,27,30).
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide has a molecular weight of 445.01 g/mol, XLogP of 4.83, 7 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-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25282554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).