3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide

C22H27ClN4O3 — CID 25383516

IUPAC3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)c(Cl)c1
InChIInChI=1S/C22H27ClN4O3/c23-19-14-16(22(29)25-17-4-1-2-5-17)6-7-20(19)30-18-8-12-26(13-9-18)21(28)15-27-11-3-10-24-27/h3,6-7,10-11,14,17-18H,1-2,4-5,8-9,12-13,15H2,(H,25,29)
InChIKeyOVOWTNVRQSRQOR-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.28
Rot. Bonds6

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

3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 25383516) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide
PubChem CID25383516
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)c(Cl)c1
InChIInChI=1S/C22H27ClN4O3/c23-19-14-16(22(29)25-17-4-1-2-5-17)6-7-20(19)30-18-8-12-26(13-9-18)21(28)15-27-11-3-10-24-27/h3,6-7,10-11,14,17-18H,1-2,4-5,8-9,12-13,15H2,(H,25,29)
InChIKeyOVOWTNVRQSRQOR-UHFFFAOYSA-N
XLogP3.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.28
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-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide (CID 25383516) is 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide is O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)Cn3cccn3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is OVOWTNVRQSRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c23-19-14-16(22(29)25-17-4-1-2-5-17)6-7-20(19)30-18-8-12-26(13-9-18)21(28)15-27-11-3-10-24-27/h3,6-7,10-11,14,17-18H,1-2,4-5,8-9,12-13,15H2,(H,25,29).
What are the key properties of 3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide?
3-chloro-N-cyclopentyl-4-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 430.94 g/mol, XLogP of 3.28, 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-pyrazol-1-ylacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25383516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).