5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide

C23H29ClN4O2 — CID 45193423

IUPAC5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)c1ccncn1
InChIInChI=1S/C23H29ClN4O2/c1-16(21-8-11-25-15-26-21)27-23(29)20-14-17(24)6-7-22(20)30-19-9-12-28(13-10-19)18-4-2-3-5-18/h6-8,11,14-16,18-19H,2-5,9-10,12-13H2,1H3,(H,27,29)
InChIKeyOSCJRWWGWLYBHM-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.41
Rot. Bonds6

About 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide (PubChem CID 45193423) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide
PubChem CID45193423
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)c1ccncn1
InChIInChI=1S/C23H29ClN4O2/c1-16(21-8-11-25-15-26-21)27-23(29)20-14-17(24)6-7-22(20)30-19-9-12-28(13-10-19)18-4-2-3-5-18/h6-8,11,14-16,18-19H,2-5,9-10,12-13H2,1H3,(H,27,29)
InChIKeyOSCJRWWGWLYBHM-UHFFFAOYSA-N
XLogP4.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 42344586
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(3-ethoxy-2-hydroxypropyl)benzamide
CID 45252361
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide
CID 42517368
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97284805
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
CID 42384099

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide (CID 45193423) is 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide is CC(NC(=O)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)c1ccncn1.
What is the InChIKey of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide?
The InChIKey is OSCJRWWGWLYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-16(21-8-11-25-15-26-21)27-23(29)20-14-17(24)6-7-22(20)30-19-9-12-28(13-10-19)18-4-2-3-5-18/h6-8,11,14-16,18-19H,2-5,9-10,12-13H2,1H3,(H,27,29).
What are the key properties of 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide?
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide has a molecular weight of 428.96 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-pyrimidin-4-ylethyl)benzamide is sourced from PubChem (CID 45193423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).